4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene

C39H29N7 — CID 138474733

IUPAC4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene
SMILESc1ccc(-n2c3ccc(-n4cc5c(n4)-c4nccn4CCCC5)cc3c3cc(-n4c5ccccc5c5ncccc54)ccc32)cc1
InChIInChI=1S/C39H29N7/c1-2-10-27(11-3-1)45-34-17-15-28(44-25-26-9-6-7-21-43-22-20-41-39(43)37(26)42-44)23-31(34)32-24-29(16-18-35(32)45)46-33-13-5-4-12-30(33)38-36(46)14-8-19-40-38/h1-5,8,10-20,22-25H,6-7,9,21H2
InChIKeyNQPODFWUKZGCEP-UHFFFAOYSA-N
MW595.71 g/mol
LogP8.66
Rot. Bonds3

About 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene

4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene (PubChem CID 138474733) has the molecular formula C39H29N7 and a molecular weight of 595.71 g/mol. Its IUPAC name is 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene.

Molecular Properties

Compound Name4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene
PubChem CID138474733
Molecular FormulaC39H29N7
Molecular Weight595.71 g/mol
Exact Mass595.25
IUPAC Name4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene
SMILESc1ccc(-n2c3ccc(-n4cc5c(n4)-c4nccn4CCCC5)cc3c3cc(-n4c5ccccc5c5ncccc54)ccc32)cc1
InChIInChI=1S/C39H29N7/c1-2-10-27(11-3-1)45-34-17-15-28(44-25-26-9-6-7-21-43-22-20-41-39(43)37(26)42-44)23-31(34)32-24-29(16-18-35(32)45)46-33-13-5-4-12-30(33)38-36(46)14-8-19-40-38/h1-5,8,10-20,22-25H,6-7,9,21H2
InChIKeyNQPODFWUKZGCEP-UHFFFAOYSA-N
XLogP8.66
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene with MolForge

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Related Compounds

8-(2-methylimidazol-1-yl)-5-(5-phenylpyrido[3,2-b]indol-8-yl)pyrido[3,2-b]indole
CID 139496528
12-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-6,9,12,15,18-pentazapentacyclo[11.8.0.02,11.06,10.014,18]henicosa-1(13),2(11),7,9,14,16-hexaene
CID 144855830
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
8-(1-adamantyl)-5-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 171765135
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
5-phenyl-8-[2,4,6-trimethyl-3-(2-phenylimidazol-1-yl)phenyl]pyrido[3,2-b]indole
CID 140820363
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene
CID 134428301
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene?
The IUPAC name of 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene (CID 138474733) is 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene.
What is the SMILES notation for 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene?
The canonical SMILES for 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene is c1ccc(-n2c3ccc(-n4cc5c(n4)-c4nccn4CCCC5)cc3c3cc(-n4c5ccccc5c5ncccc54)ccc32)cc1.
What is the InChIKey of 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene?
The InChIKey is NQPODFWUKZGCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N7/c1-2-10-27(11-3-1)45-34-17-15-28(44-25-26-9-6-7-21-43-22-20-41-39(43)37(26)42-44)23-31(34)32-24-29(16-18-35(32)45)46-33-13-5-4-12-30(33)38-36(46)14-8-19-40-38/h1-5,8,10-20,22-25H,6-7,9,21H2.
What are the key properties of 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene?
4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene has a molecular weight of 595.71 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenyl-6-pyrido[3,2-b]indol-5-ylcarbazol-3-yl)-3,4,11,14-tetrazatricyclo[9.3.0.02,6]tetradeca-1(14),2,5,12-tetraene is sourced from PubChem (CID 138474733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).