4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline

C40H29N5 — CID 163433330

IUPAC4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline
SMILESC1=NCCc2c1n(-c1ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc1)c1ccccc21
InChIInChI=1S/C40H29N5/c1-2-8-28(9-3-1)43(29-14-18-31(19-15-29)44-37-12-6-4-10-33(37)35-22-24-41-26-39(35)44)30-16-20-32(21-17-30)45-38-13-7-5-11-34(38)36-23-25-42-27-40(36)45/h1-22,24,26-27H,23,25H2
InChIKeyASJBBSJEXWNTBV-UHFFFAOYSA-N
MW579.71 g/mol
LogP9.57
Rot. Bonds5

About 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline

4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline (PubChem CID 163433330) has the molecular formula C40H29N5 and a molecular weight of 579.71 g/mol. Its IUPAC name is 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline.

Molecular Properties

Compound Name4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline
PubChem CID163433330
Molecular FormulaC40H29N5
Molecular Weight579.71 g/mol
Exact Mass579.24
IUPAC Name4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline
SMILESC1=NCCc2c1n(-c1ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc1)c1ccccc21
InChIInChI=1S/C40H29N5/c1-2-8-28(9-3-1)43(29-14-18-31(19-15-29)44-37-12-6-4-10-33(37)35-22-24-41-26-39(35)44)30-16-20-32(21-17-30)45-38-13-7-5-11-34(38)36-23-25-42-27-40(36)45/h1-22,24,26-27H,23,25H2
InChIKeyASJBBSJEXWNTBV-UHFFFAOYSA-N
XLogP9.57
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3-(3,4-dihydropyrido[3,4-b]indol-9-yl)-5-(5,6-dihydropyrido[3,4-b]indol-9-yl)benzonitrile
CID 166777800
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
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
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine
CID 130453118
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline?
The IUPAC name of 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline (CID 163433330) is 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline.
What is the SMILES notation for 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline?
The canonical SMILES for 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline is C1=NCCc2c1n(-c1ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccncc54)cc3)cc1)c1ccccc21.
What is the InChIKey of 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline?
The InChIKey is ASJBBSJEXWNTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N5/c1-2-8-28(9-3-1)43(29-14-18-31(19-15-29)44-37-12-6-4-10-33(37)35-22-24-41-26-39(35)44)30-16-20-32(21-17-30)45-38-13-7-5-11-34(38)36-23-25-42-27-40(36)45/h1-22,24,26-27H,23,25H2.
What are the key properties of 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline?
4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline has a molecular weight of 579.71 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydropyrido[3,4-b]indol-9-yl)-N-phenyl-N-(4-pyrido[3,4-b]indol-9-ylphenyl)aniline is sourced from PubChem (CID 163433330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).