9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole

C42H31N3 — CID 145327325

IUPAC9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole
SMILESC1=CC(c2ccc3c(c2)c2ccnc(-c4ccccc4)c2n3Cc2ccccc2)Cc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C42H31N3/c1-4-12-29(13-5-1)28-44-38-22-20-31(27-37(38)35-24-25-43-41(42(35)44)30-14-6-2-7-15-30)32-21-23-40-36(26-32)34-18-10-11-19-39(34)45(40)33-16-8-3-9-17-33/h1-25,27,32H,26,28H2
InChIKeyRNNNZIZRDKYVMO-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.20
Rot. Bonds5

About 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole

9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole (PubChem CID 145327325) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole
PubChem CID145327325
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole
SMILESC1=CC(c2ccc3c(c2)c2ccnc(-c4ccccc4)c2n3Cc2ccccc2)Cc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C42H31N3/c1-4-12-29(13-5-1)28-44-38-22-20-31(27-37(38)35-24-25-43-41(42(35)44)30-14-6-2-7-15-30)32-21-23-40-36(26-32)34-18-10-11-19-39(34)45(40)33-16-8-3-9-17-33/h1-25,27,32H,26,28H2
InChIKeyRNNNZIZRDKYVMO-UHFFFAOYSA-N
XLogP10.20
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
2-(4-methylphenyl)-5-[4-[3-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 71086025
10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 139443714
9-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
4-phenyl-2-[2-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-h]quinazoline
CID 145186637
9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
CID 118535789
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene
CID 134301201
4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
CID 135233863
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole?
The IUPAC name of 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole (CID 145327325) is 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole?
The canonical SMILES for 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole is C1=CC(c2ccc3c(c2)c2ccnc(-c4ccccc4)c2n3Cc2ccccc2)Cc2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole?
The InChIKey is RNNNZIZRDKYVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-4-12-29(13-5-1)28-44-38-22-20-31(27-37(38)35-24-25-43-41(42(35)44)30-14-6-2-7-15-30)32-21-23-40-36(26-32)34-18-10-11-19-39(34)45(40)33-16-8-3-9-17-33/h1-25,27,32H,26,28H2.
What are the key properties of 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole?
9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole has a molecular weight of 577.73 g/mol, XLogP of 10.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole is sourced from PubChem (CID 145327325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).