2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene

C54H36N4 — CID 139379924

IUPAC2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene
SMILESc1ccc(N2c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(c3)N(c3ccccc3)c3cccc4c3c3c2cccc3n4-c2ccccc2)cc1
InChIInChI=1S/C54H36N4/c1-5-17-39(18-6-1)55-43-33-38(37-31-32-46-45-25-13-14-26-47(45)57(52(46)35-37)41-21-9-3-10-22-41)34-44(36-43)56(40-19-7-2-8-20-40)49-28-16-30-51-54(49)53-48(55)27-15-29-50(53)58(51)42-23-11-4-12-24-42/h1-36H
InChIKeyQAEFMPSQBLHPFW-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.80
Rot. Bonds5

About 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene

2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene (PubChem CID 139379924) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene.

Molecular Properties

Compound Name2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene
PubChem CID139379924
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene
SMILESc1ccc(N2c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(c3)N(c3ccccc3)c3cccc4c3c3c2cccc3n4-c2ccccc2)cc1
InChIInChI=1S/C54H36N4/c1-5-17-39(18-6-1)55-43-33-38(37-31-32-46-45-25-13-14-26-47(45)57(52(46)35-37)41-21-9-3-10-22-41)34-44(36-43)56(40-19-7-2-8-20-40)49-28-16-30-51-54(49)53-48(55)27-15-29-50(53)58(51)42-23-11-4-12-24-42/h1-36H
InChIKeyQAEFMPSQBLHPFW-UHFFFAOYSA-N
XLogP14.80
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene with MolForge

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Related Compounds

2,15-diphenyl-18-(9-phenylcarbazol-3-yl)-21-thia-2,15-diazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3(8),4,6,9(14),10,12,16,18-nonaene
CID 139380005
6-carbazol-9-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9,14-triphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 157256630
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
9-(3-carbazol-9-ylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598820
9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134168683
5,9-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6,9-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9,14-bis(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-phenyl-9-(3-phenylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-phenyl-14-(3-phenylphenyl)-9-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-phenyl-9-(3-phenylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160555367
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
8,14,22-triphenyl-5-(9-phenylcarbazol-2-yl)-1-sulfanylidene-8,14,22-triaza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 134317224

Frequently Asked Questions

What is the IUPAC name of 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene?
The IUPAC name of 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene (CID 139379924) is 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene.
What is the SMILES notation for 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene?
The canonical SMILES for 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene is c1ccc(N2c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(c3)N(c3ccccc3)c3cccc4c3c3c2cccc3n4-c2ccccc2)cc1.
What is the InChIKey of 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene?
The InChIKey is QAEFMPSQBLHPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-5-17-39(18-6-1)55-43-33-38(37-31-32-46-45-25-13-14-26-47(45)57(52(46)35-37)41-21-9-3-10-22-41)34-44(36-43)56(40-19-7-2-8-20-40)49-28-16-30-51-54(49)53-48(55)27-15-29-50(53)58(51)42-23-11-4-12-24-42/h1-36H.
What are the key properties of 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene?
2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene has a molecular weight of 740.91 g/mol, XLogP of 14.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15,21-triphenyl-18-(9-phenylcarbazol-2-yl)-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaene is sourced from PubChem (CID 139379924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).