N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine

C31H20ClN3O — CID 164801685

IUPACN-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine
SMILESClc1c(N(c2ccccc2)c2coc3ccccc23)cccc1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C31H20ClN3O/c32-31-27(34(21-9-2-1-3-10-21)29-20-36-30-16-7-5-12-23(29)30)14-8-15-28(31)35-25-13-6-4-11-22(25)24-19-33-18-17-26(24)35/h1-20H
InChIKeySFLGEIVHROHXAU-UHFFFAOYSA-N
MW485.97 g/mol
LogP9.05
Rot. Bonds4

About N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine

N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine (PubChem CID 164801685) has the molecular formula C31H20ClN3O and a molecular weight of 485.97 g/mol. Its IUPAC name is N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine
PubChem CID164801685
Molecular FormulaC31H20ClN3O
Molecular Weight485.97 g/mol
Exact Mass485.13
IUPAC NameN-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine
SMILESClc1c(N(c2ccccc2)c2coc3ccccc23)cccc1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C31H20ClN3O/c32-31-27(34(21-9-2-1-3-10-21)29-20-36-30-16-7-5-12-23(29)30)14-8-15-28(31)35-25-13-6-4-11-22(25)24-19-33-18-17-26(24)35/h1-20H
InChIKeySFLGEIVHROHXAU-UHFFFAOYSA-N
XLogP9.05
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine;N-(2,3-dichlorophenyl)-N-phenyl-1-benzofuran-3-amine;5H-pyrido[4,3-b]indole
CID 165047294
3-N-(1-benzofuran-3-yl)-2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 146643061
N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
CID 121296361
2-carbazol-9-yl-N,N-diphenylaniline
CID 66650204
2-N,7-N-bis[3-[N-(1-benzofuran-3-yl)anilino]-2-bromo-5-chlorophenyl]-2-N,7-N,9-triphenylcarbazole-2,7-diamine
CID 155348922
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole
CID 158960873
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
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
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-(18-pyrido[3,4-b]indol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)pyrido[3,4-b]indole
CID 59147045
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine?
The IUPAC name of N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine (CID 164801685) is N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine.
What is the SMILES notation for N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine?
The canonical SMILES for N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine is Clc1c(N(c2ccccc2)c2coc3ccccc23)cccc1-n1c2ccccc2c2cnccc21.
What is the InChIKey of N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine?
The InChIKey is SFLGEIVHROHXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3O/c32-31-27(34(21-9-2-1-3-10-21)29-20-36-30-16-7-5-12-23(29)30)14-8-15-28(31)35-25-13-6-4-11-22(25)24-19-33-18-17-26(24)35/h1-20H.
What are the key properties of N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine?
N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine has a molecular weight of 485.97 g/mol, XLogP of 9.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine is sourced from PubChem (CID 164801685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).