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

C39H25N5 — CID 155006243

IUPAC9-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
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5n5c6c7ccccc7n(-c7ccccc7)c6nc45)cc32)cc1
InChIInChI=1S/C39H25N5/c1-3-13-26(14-4-1)41-32-19-9-7-17-29(32)30-24-23-28(25-36(30)41)43-34-21-11-12-22-35(34)44-37-31-18-8-10-20-33(31)42(38(37)40-39(43)44)27-15-5-2-6-16-27/h1-25H
InChIKeyMERXJKVVAUIGKD-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.47
Rot. Bonds3

About 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

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 (PubChem CID 155006243) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID155006243
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name9-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
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5n5c6c7ccccc7n(-c7ccccc7)c6nc45)cc32)cc1
InChIInChI=1S/C39H25N5/c1-3-13-26(14-4-1)41-32-19-9-7-17-29(32)30-24-23-28(25-36(30)41)43-34-21-11-12-22-35(34)44-37-31-18-8-10-20-33(31)42(38(37)40-39(43)44)27-15-5-2-6-16-27/h1-25H
InChIKeyMERXJKVVAUIGKD-UHFFFAOYSA-N
XLogP9.47
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
7,7-dimethyl-5-phenyl-2-(13-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-9-yl)indeno[2,1-b]carbazole
CID 154646690
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
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
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
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
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
5-carbazol-9-yl-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-(4-carbazol-9-ylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene;5,14-di(carbazol-9-yl)-25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaene
CID 163886824

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5n5c6c7ccccc7n(-c7ccccc7)c6nc45)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is MERXJKVVAUIGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-3-13-26(14-4-1)41-32-19-9-7-17-29(32)30-24-23-28(25-36(30)41)43-34-21-11-12-22-35(34)44-37-31-18-8-10-20-33(31)42(38(37)40-39(43)44)27-15-5-2-6-16-27/h1-25H.
What are the key properties of 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?
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 has a molecular weight of 563.66 g/mol, XLogP of 9.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155006243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).