5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

C41H28N6 — CID 135252617

IUPAC5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3ccc(-n4nnc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C41H28N6/c1-3-9-31(10-4-1)45(32-11-5-2-6-12-32)35-23-24-39-36(27-35)37-28-42-26-25-40(37)46(39)33-19-15-29(16-20-33)30-17-21-34(22-18-30)47-41-14-8-7-13-38(41)43-44-47/h1-28H
InChIKeyXREPFAVDIAQIFV-UHFFFAOYSA-N
MW604.72 g/mol
LogP10.05
Rot. Bonds6

About 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (PubChem CID 135252617) has the molecular formula C41H28N6 and a molecular weight of 604.72 g/mol. Its IUPAC name is 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound Name5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
PubChem CID135252617
Molecular FormulaC41H28N6
Molecular Weight604.72 g/mol
Exact Mass604.24
IUPAC Name5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3ccc(-n4nnc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C41H28N6/c1-3-9-31(10-4-1)45(32-11-5-2-6-12-32)35-23-24-39-36(27-35)37-28-42-26-25-40(37)46(39)33-19-15-29(16-20-33)30-17-21-34(22-18-30)47-41-14-8-7-13-38(41)43-44-47/h1-28H
InChIKeyXREPFAVDIAQIFV-UHFFFAOYSA-N
XLogP10.05
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.72
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
9-[4-[4-(benzotriazol-1-yl)phenyl]-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130354191
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
CID 130354253
5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 130353095
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561
N,N-diphenyl-5-[4-[11-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]-4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,10-pentaen-5-yl]phenyl]pyrido[4,3-b]indol-8-amine
CID 135252515
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 130354916
1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
CID 130355082

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The IUPAC name of 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (CID 135252617) is 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.
What is the SMILES notation for 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The canonical SMILES for 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3ccc(-n4nnc5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The InChIKey is XREPFAVDIAQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N6/c1-3-9-31(10-4-1)45(32-11-5-2-6-12-32)35-23-24-39-36(27-35)37-28-42-26-25-40(37)46(39)33-19-15-29(16-20-33)30-17-21-34(22-18-30)47-41-14-8-7-13-38(41)43-44-47/h1-28H.
What are the key properties of 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine has a molecular weight of 604.72 g/mol, XLogP of 10.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 135252617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).