15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C263H156N20O5 — CID 161308725

IUPAC15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)ccc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c3ccccc23)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(ccc8ccccc87)c6)ccc54)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccc8ccccc8c7c6)ccc54)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccc8ccccc8c67)ccc54)nc-2c13
InChIInChI=1S/C54H32N4O.C53H34N4O.3C52H30N4O/c1-2-13-33(14-3-1)36-27-30-47(38-16-5-4-15-37(36)38)57-45-21-9-6-17-39(45)42-31-34(25-28-48(42)57)35-26-29-49-43(32-35)40-18-7-10-22-46(40)58(49)54-55-44-20-12-24-51-52(44)53(56-54)41-19-8-11-23-50(41)59-51;1-53(2)41-16-7-3-12-34(41)38-30-33(24-25-42(38)53)56-44-18-8-4-13-35(44)39-28-31(22-26-46(39)56)32-23-27-47-40(29-32)36-14-5-9-19-45(36)57(47)52-54-43-17-11-21-49-50(43)51(55-52)37-15-6-10-20-48(37)58-49;1-2-13-35-31(11-1)23-24-32-12-9-20-46(49(32)35)55-42-18-6-3-14-36(42)39-29-33(25-27-44(39)55)34-26-28-45-40(30-34)37-15-4-7-19-43(37)56(45)52-53-41-17-10-22-48-50(41)51(54-52)38-16-5-8-21-47(38)57-48;1-2-11-36-31(10-1)20-21-34-28-35(24-25-37(34)36)55-44-16-6-3-12-38(44)41-29-32(22-26-46(41)55)33-23-27-47-42(30-33)39-13-4-7-17-45(39)56(47)52-53-43-15-9-19-49-50(43)51(54-52)40-14-5-8-18-48(40)57-49;1-2-11-36-31(10-1)20-21-32-22-25-35(30-40(32)36)55-44-16-6-3-12-37(44)41-28-33(23-26-46(41)55)34-24-27-47-42(29-34)38-13-4-7-17-45(38)56(47)52-53-43-15-9-19-49-50(43)51(54-52)39-14-5-8-18-48(39)57-49/h1-32H;3-30H,1-2H3;3*1-30H
InChIKeyVIPIDNOBXXBMRU-UHFFFAOYSA-N
MW3676.28 g/mol
LogP68.36
Rot. Bonds16

About 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 161308725) has the molecular formula C263H156N20O5 and a molecular weight of 3676.28 g/mol. Its IUPAC name is 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID161308725
Molecular FormulaC263H156N20O5
Molecular Weight3676.28 g/mol
Exact Mass3673.26
IUPAC Name15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)ccc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c3ccccc23)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(ccc8ccccc87)c6)ccc54)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccc8ccccc8c7c6)ccc54)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccc8ccccc8c67)ccc54)nc-2c13
InChIInChI=1S/C54H32N4O.C53H34N4O.3C52H30N4O/c1-2-13-33(14-3-1)36-27-30-47(38-16-5-4-15-37(36)38)57-45-21-9-6-17-39(45)42-31-34(25-28-48(42)57)35-26-29-49-43(32-35)40-18-7-10-22-46(40)58(49)54-55-44-20-12-24-51-52(44)53(56-54)41-19-8-11-23-50(41)59-51;1-53(2)41-16-7-3-12-34(41)38-30-33(24-25-42(38)53)56-44-18-8-4-13-35(44)39-28-31(22-26-46(39)56)32-23-27-47-40(29-32)36-14-5-9-19-45(36)57(47)52-54-43-17-11-21-49-50(43)51(55-52)37-15-6-10-20-48(37)58-49;1-2-13-35-31(11-1)23-24-32-12-9-20-46(49(32)35)55-42-18-6-3-14-36(42)39-29-33(25-27-44(39)55)34-26-28-45-40(30-34)37-15-4-7-19-43(37)56(45)52-53-41-17-10-22-48-50(41)51(54-52)38-16-5-8-21-47(38)57-48;1-2-11-36-31(10-1)20-21-34-28-35(24-25-37(34)36)55-44-16-6-3-12-38(44)41-29-32(22-26-46(41)55)33-23-27-47-42(30-33)39-13-4-7-17-45(39)56(47)52-53-43-15-9-19-49-50(43)51(54-52)40-14-5-8-18-48(40)57-49;1-2-11-36-31(10-1)20-21-32-22-25-35(30-40(32)36)55-44-16-6-3-12-37(44)41-28-33(23-26-46(41)55)34-24-27-47-42(29-34)38-13-4-7-17-45(38)56(47)52-53-43-15-9-19-49-50(43)51(54-52)39-14-5-8-18-48(39)57-49/h1-32H;3-30H,1-2H3;3*1-30H
InChIKeyVIPIDNOBXXBMRU-UHFFFAOYSA-N
XLogP68.36
TPSA224.35 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003676.28
LogP ≤ 568.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

15-[3-[7-(9,9-dimethylfluoren-3-yl)benzo[c]carbazol-10-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297940
15-[10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297929
15-[10-[9-(3-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297921
15-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297566
15-[2-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297238
15-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 161451676
15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297934
15-[8-(9-naphthalen-2-ylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[8-[9-(4-phenylphenyl)carbazol-3-yl]benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 160916201
19-[3-(7-phenylbenzo[c]carbazol-3-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 138527761
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159107131
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242
15-(12-phenanthren-2-ylindolo[3,2-c]carbazol-5-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 146360390

Frequently Asked Questions

What is the IUPAC name of 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 161308725) is 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)ccc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc6c7c(cccc7n5)Oc5ccccc5-6)ccc43)c3ccccc23)cc1.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(ccc8ccccc87)c6)ccc54)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccc8ccccc8c7c6)ccc54)nc-2c13.c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccc8ccccc8c67)ccc54)nc-2c13.
What is the InChIKey of 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is VIPIDNOBXXBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O.C53H34N4O.3C52H30N4O/c1-2-13-33(14-3-1)36-27-30-47(38-16-5-4-15-37(36)38)57-45-21-9-6-17-39(45)42-31-34(25-28-48(42)57)35-26-29-49-43(32-35)40-18-7-10-22-46(40)58(49)54-55-44-20-12-24-51-52(44)53(56-54)41-19-8-11-23-50(41)59-51;1-53(2)41-16-7-3-12-34(41)38-30-33(24-25-42(38)53)56-44-18-8-4-13-35(44)39-28-31(22-26-46(39)56)32-23-27-47-40(29-32)36-14-5-9-19-45(36)57(47)52-54-43-17-11-21-49-50(43)51(55-52)37-15-6-10-20-48(37)58-49;1-2-13-35-31(11-1)23-24-32-12-9-20-46(49(32)35)55-42-18-6-3-14-36(42)39-29-33(25-27-44(39)55)34-26-28-45-40(30-34)37-15-4-7-19-43(37)56(45)52-53-41-17-10-22-48-50(41)51(54-52)38-16-5-8-21-47(38)57-48;1-2-11-36-31(10-1)20-21-34-28-35(24-25-37(34)36)55-44-16-6-3-12-38(44)41-29-32(22-26-46(41)55)33-23-27-47-42(30-33)39-13-4-7-17-45(39)56(47)52-53-43-15-9-19-49-50(43)51(54-52)40-14-5-8-18-48(40)57-49;1-2-11-36-31(10-1)20-21-32-22-25-35(30-40(32)36)55-44-16-6-3-12-37(44)41-28-33(23-26-46(41)55)34-24-27-47-42(29-34)38-13-4-7-17-45(38)56(47)52-53-43-15-9-19-49-50(43)51(54-52)39-14-5-8-18-48(39)57-49/h1-32H;3-30H,1-2H3;3*1-30H.
What are the key properties of 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 3676.28 g/mol, XLogP of 68.36, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-3-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-(9-phenanthren-4-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;15-[3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 161308725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).