13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene

C260H160N16 — CID 160535496

IUPAC13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c7ccc8ccccc8c7c7nc8ccccc8n7c6c5)ccc4c3)cc21.c1ccc(-c2cc3c(c4ccc(-c5cccc6c5ccc5ccc7ccccc7c56)cc4n4c5ccccc5nc34)c3ncccc23)cc1.c1ccc(-c2cccc3c(-c4ccc5c6c(ccc7cccnc76)c6nc7ccccc7n6c5c4)cccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)c4ccccc34)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)cc3)ccc2c1
InChIInChI=1S/C48H32N2.C47H28N2.C46H27N3.C42H26N4.C39H24N2.C38H23N3/c1-48(2)41-12-6-5-11-37(41)38-22-20-34(27-42(38)48)32-17-15-31-26-33(18-16-30(31)25-32)35-21-23-39-40-24-19-29-9-3-4-10-36(29)46(40)47-49-43-13-7-8-14-44(43)50(47)45(39)28-35;1-3-15-32-29(12-1)14-11-21-35(32)45-38-19-7-5-17-36(38)44(37-18-6-8-20-39(37)45)31-25-26-34-40-27-24-30-13-2-4-16-33(30)46(40)47-48-41-22-9-10-23-42(41)49(47)43(34)28-31;1-2-10-28(11-3-1)38-27-39-44(45-36(38)16-9-25-47-45)37-24-22-31(26-42(37)49-41-18-7-6-17-40(41)48-46(39)49)32-14-8-15-35-34(32)23-21-30-20-19-29-12-4-5-13-33(29)43(30)35;1-2-11-31(12-3-1)45-37-16-8-6-14-35(37)43-41(45)29-20-18-27(19-21-29)30-23-24-33-34-25-22-28-10-4-5-13-32(28)40(34)42-44-36-15-7-9-17-38(36)46(42)39(33)26-30;1-2-9-29-23-30(18-17-25(29)7-1)26-13-15-27(16-14-26)31-20-21-33-34-22-19-28-8-3-4-10-32(28)38(34)39-40-35-11-5-6-12-36(35)41(39)37(33)24-31;1-2-9-24(10-3-1)27-12-6-15-30-28(13-7-14-29(27)30)26-19-20-31-35(23-26)41-34-17-5-4-16-33(34)40-38(41)32-21-18-25-11-8-22-39-37(25)36(31)32/h3-28H,1-2H3;1-28H;1-27H;1-26H;1-24H;1-23H
InChIKeyQWCFLCIZLIHPIK-UHFFFAOYSA-N
MW3508.25 g/mol
LogP68.50
Rot. Bonds13

About 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene

13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene (PubChem CID 160535496) has the molecular formula C260H160N16 and a molecular weight of 3508.25 g/mol. Its IUPAC name is 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene.

Molecular Properties

Compound Name13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
PubChem CID160535496
Molecular FormulaC260H160N16
Molecular Weight3508.25 g/mol
Exact Mass3505.30
IUPAC Name13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c7ccc8ccccc8c7c7nc8ccccc8n7c6c5)ccc4c3)cc21.c1ccc(-c2cc3c(c4ccc(-c5cccc6c5ccc5ccc7ccccc7c56)cc4n4c5ccccc5nc34)c3ncccc23)cc1.c1ccc(-c2cccc3c(-c4ccc5c6c(ccc7cccnc76)c6nc7ccccc7n6c5c4)cccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)c4ccccc34)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)cc3)ccc2c1
InChIInChI=1S/C48H32N2.C47H28N2.C46H27N3.C42H26N4.C39H24N2.C38H23N3/c1-48(2)41-12-6-5-11-37(41)38-22-20-34(27-42(38)48)32-17-15-31-26-33(18-16-30(31)25-32)35-21-23-39-40-24-19-29-9-3-4-10-36(29)46(40)47-49-43-13-7-8-14-44(43)50(47)45(39)28-35;1-3-15-32-29(12-1)14-11-21-35(32)45-38-19-7-5-17-36(38)44(37-18-6-8-20-39(37)45)31-25-26-34-40-27-24-30-13-2-4-16-33(30)46(40)47-48-41-22-9-10-23-42(41)49(47)43(34)28-31;1-2-10-28(11-3-1)38-27-39-44(45-36(38)16-9-25-47-45)37-24-22-31(26-42(37)49-41-18-7-6-17-40(41)48-46(39)49)32-14-8-15-35-34(32)23-21-30-20-19-29-12-4-5-13-33(29)43(30)35;1-2-11-31(12-3-1)45-37-16-8-6-14-35(37)43-41(45)29-20-18-27(19-21-29)30-23-24-33-34-25-22-28-10-4-5-13-32(28)40(34)42-44-36-15-7-9-17-38(36)46(42)39(33)26-30;1-2-9-29-23-30(18-17-25(29)7-1)26-13-15-27(16-14-26)31-20-21-33-34-22-19-28-8-3-4-10-32(28)38(34)39-40-35-11-5-6-12-36(35)41(39)37(33)24-31;1-2-9-24(10-3-1)27-12-6-15-30-28(13-7-14-29(27)30)26-19-20-31-35(23-26)41-34-17-5-4-16-33(34)40-38(41)32-21-18-25-11-8-22-39-37(25)36(31)32/h3-28H,1-2H3;1-28H;1-27H;1-26H;1-24H;1-23H
InChIKeyQWCFLCIZLIHPIK-UHFFFAOYSA-N
XLogP68.50
TPSA147.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003508.25
LogP ≤ 568.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene with MolForge

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Related Compounds

13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene;13-(4-phenanthren-9-ylphenyl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene;13-phenanthren-9-yl-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 161256267
13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71229736
13-(9,9-dimethylfluoren-2-yl)-3,10,24-triazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20(25),21,23-dodecaene
CID 71229717
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,10-dinaphthalen-1-ylanthracene;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-N-(4-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 162146574
2-[3-(10,10-dimethyl-14,21-dinaphthalen-2-yl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl)phenyl]-1-phenylbenzimidazole
CID 58411952
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71229737
2-[4-(10,10-dimethyl-14-naphthalen-2-yl-21-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaenyl)phenyl]-1-phenylbenzimidazole;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;4,9-dinaphthalen-2-yl-2,3-diphenylbenzo[f]benzimidazole;4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,10-phenanthroline;13-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;6-phenylpyrido[3,2-f][1,7]phenanthroline
CID 159757937
1-[4-(7,7-dimethyl-9-naphthalen-2-ylbenzo[c]fluoren-5-yl)phenyl]-2-phenylbenzimidazole
CID 143828997
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
2-(10,10-dimethyl-14,21-dinaphthalen-2-yl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl)-1-phenylbenzimidazole
CID 58412005
2-[4-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole
CID 118604213

Frequently Asked Questions

What is the IUPAC name of 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene?
The IUPAC name of 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene (CID 160535496) is 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene.
What is the SMILES notation for 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene?
The canonical SMILES for 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c7ccc8ccccc8c7c7nc8ccccc8n7c6c5)ccc4c3)cc21.c1ccc(-c2cc3c(c4ccc(-c5cccc6c5ccc5ccc7ccccc7c56)cc4n4c5ccccc5nc34)c3ncccc23)cc1.c1ccc(-c2cccc3c(-c4ccc5c6c(ccc7cccnc76)c6nc7ccccc7n6c5c4)cccc23)cc1.c1ccc(-n2c(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)cc3)nc3ccccc32)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)c4ccccc34)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c6ccc7ccccc7c6c6nc7ccccc7n6c5c4)cc3)ccc2c1.
What is the InChIKey of 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene?
The InChIKey is QWCFLCIZLIHPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2.C47H28N2.C46H27N3.C42H26N4.C39H24N2.C38H23N3/c1-48(2)41-12-6-5-11-37(41)38-22-20-34(27-42(38)48)32-17-15-31-26-33(18-16-30(31)25-32)35-21-23-39-40-24-19-29-9-3-4-10-36(29)46(40)47-49-43-13-7-8-14-44(43)50(47)45(39)28-35;1-3-15-32-29(12-1)14-11-21-35(32)45-38-19-7-5-17-36(38)44(37-18-6-8-20-39(37)45)31-25-26-34-40-27-24-30-13-2-4-16-33(30)46(40)47-48-41-22-9-10-23-42(41)49(47)43(34)28-31;1-2-10-28(11-3-1)38-27-39-44(45-36(38)16-9-25-47-45)37-24-22-31(26-42(37)49-41-18-7-6-17-40(41)48-46(39)49)32-14-8-15-35-34(32)23-21-30-20-19-29-12-4-5-13-33(29)43(30)35;1-2-11-31(12-3-1)45-37-16-8-6-14-35(37)43-41(45)29-20-18-27(19-21-29)30-23-24-33-34-25-22-28-10-4-5-13-32(28)40(34)42-44-36-15-7-9-17-38(36)46(42)39(33)26-30;1-2-9-29-23-30(18-17-25(29)7-1)26-13-15-27(16-14-26)31-20-21-33-34-22-19-28-8-3-4-10-32(28)38(34)39-40-35-11-5-6-12-36(35)41(39)37(33)24-31;1-2-9-24(10-3-1)27-12-6-15-30-28(13-7-14-29(27)30)26-19-20-31-35(23-26)41-34-17-5-4-16-33(34)40-38(41)32-21-18-25-11-8-22-39-37(25)36(31)32/h3-28H,1-2H3;1-28H;1-27H;1-26H;1-24H;1-23H.
What are the key properties of 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene?
13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene has a molecular weight of 3508.25 g/mol, XLogP of 68.50, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 13-benzo[g]phenanthren-4-yl-24-phenyl-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;13-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(10-naphthalen-1-ylanthracen-9-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(4-naphthalen-2-ylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene;13-(5-phenylnaphthalen-1-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene is sourced from PubChem (CID 160535496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).