15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene

C49H38N4 — CID 163745396

IUPAC15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(c2C1(C)C)c1c2ccccc2ccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H38N4/c1-48(2)39-22-14-13-21-37(39)38-28-30-41-43(44(38)49(48,3)4)42-36-20-12-11-15-31(36)25-29-40(42)53(41)35-26-23-34(24-27-35)47-51-45(32-16-7-5-8-17-32)50-46(52-47)33-18-9-6-10-19-33/h5-30H,1-4H3
InChIKeyVOZQGUXWZWAELM-UHFFFAOYSA-N
MW682.87 g/mol
LogP12.36
Rot. Bonds4

About 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene

15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene (PubChem CID 163745396) has the molecular formula C49H38N4 and a molecular weight of 682.87 g/mol. Its IUPAC name is 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene.

Molecular Properties

Compound Name15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene
PubChem CID163745396
Molecular FormulaC49H38N4
Molecular Weight682.87 g/mol
Exact Mass682.31
IUPAC Name15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(c2C1(C)C)c1c2ccccc2ccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H38N4/c1-48(2)39-22-14-13-21-37(39)38-28-30-41-43(44(38)49(48,3)4)42-36-20-12-11-15-31(36)25-29-40(42)53(41)35-26-23-34(24-27-35)47-51-45(32-16-7-5-8-17-32)50-46(52-47)33-18-9-6-10-19-33/h5-30H,1-4H3
InChIKeyVOZQGUXWZWAELM-UHFFFAOYSA-N
XLogP12.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene with MolForge

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Related Compounds

12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449213
25-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 126720048
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 167649930
17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene
CID 163745395
N-(9,9-dimethylfluoren-2-yl)-21,21,22,22-tetramethyl-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaen-18-amine;2,4-diphenyl-6-[3-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine;9-[4-(21,21,22,22-tetramethyl-18-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15(20),16,18-decaenyl)phenyl]carbazole
CID 163931712
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
CID 170259796
12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 132605987
5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158120881
2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163822142
12-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[6-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163851259
9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259795
12-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449206

Frequently Asked Questions

What is the IUPAC name of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene?
The IUPAC name of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene (CID 163745396) is 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene.
What is the SMILES notation for 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene?
The canonical SMILES for 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene is CC1(C)c2ccccc2-c2ccc3c(c2C1(C)C)c1c2ccccc2ccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene?
The InChIKey is VOZQGUXWZWAELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4/c1-48(2)39-22-14-13-21-37(39)38-28-30-41-43(44(38)49(48,3)4)42-36-20-12-11-15-31(36)25-29-40(42)53(41)35-26-23-34(24-27-35)47-51-45(32-16-7-5-8-17-32)50-46(52-47)33-18-9-6-10-19-33/h5-30H,1-4H3.
What are the key properties of 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene?
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene has a molecular weight of 682.87 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene is sourced from PubChem (CID 163745396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).