13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

C63H39N5 — CID 154646539

IUPAC13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n(-c4ccccc4)c4nc6c(c7ccccc7n6-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)n54)ccc32)cc1
InChIInChI=1S/C63H39N5/c1-3-17-44(18-4-1)65-56-28-13-11-26-52(56)55-38-42(31-34-58(55)65)43-32-35-59-60(39-43)67(45-19-5-2-6-20-45)63-64-62-61(68(59)63)53-27-12-14-29-57(53)66(62)46-21-15-16-40(36-46)41-30-33-51-49-24-8-7-22-47(49)48-23-9-10-25-50(48)54(51)37-41/h1-39H
InChIKeyOWQOBDAHYPCAIO-UHFFFAOYSA-N
MW866.04 g/mol
LogP16.27
Rot. Bonds5

About 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene

13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (PubChem CID 154646539) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.

Molecular Properties

Compound Name13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
PubChem CID154646539
Molecular FormulaC63H39N5
Molecular Weight866.04 g/mol
Exact Mass865.32
IUPAC Name13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n(-c4ccccc4)c4nc6c(c7ccccc7n6-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)n54)ccc32)cc1
InChIInChI=1S/C63H39N5/c1-3-17-44(18-4-1)65-56-28-13-11-26-52(56)55-38-42(31-34-58(55)65)43-32-35-59-60(39-43)67(45-19-5-2-6-20-45)63-64-62-61(68(59)63)53-27-12-14-29-57(53)66(62)46-21-15-16-40(36-46)41-30-33-51-49-24-8-7-22-47(49)48-23-9-10-25-50(48)54(51)37-41/h1-39H
InChIKeyOWQOBDAHYPCAIO-UHFFFAOYSA-N
XLogP16.27
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.04
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9,13-diphenyl-16-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 164745010
9,13-diphenyl-16-[9-(4-phenylphenyl)carbazol-3-yl]-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646952
16-dibenzofuran-2-yl-13-phenyl-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646956
22-phenyl-18-[9-(3-phenylphenyl)carbazol-3-yl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 135212582
9-phenyl-13-(9-phenylcarbazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaene
CID 155006243
9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646730
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-(9-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14,16,18-octaen-13-yl)indolo[3,2-b]carbazole
CID 164745147
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene
CID 144645993
22-(3-phenylphenyl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212575
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
The IUPAC name of 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene (CID 154646539) is 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene.
What is the SMILES notation for 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
The canonical SMILES for 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)n(-c4ccccc4)c4nc6c(c7ccccc7n6-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)n54)ccc32)cc1.
What is the InChIKey of 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
The InChIKey is OWQOBDAHYPCAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5/c1-3-17-44(18-4-1)65-56-28-13-11-26-52(56)55-38-42(31-34-58(55)65)43-32-35-59-60(39-43)67(45-19-5-2-6-20-45)63-64-62-61(68(59)63)53-27-12-14-29-57(53)66(62)46-21-15-16-40(36-46)41-30-33-51-49-24-8-7-22-47(49)48-23-9-10-25-50(48)54(51)37-41/h1-39H.
What are the key properties of 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene?
13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene has a molecular weight of 866.04 g/mol, XLogP of 16.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyl-16-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene is sourced from PubChem (CID 154646539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).