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

C62H41Cl3N6O2 — CID 165047294

IUPACN-(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
SMILESClc1c(N(c2ccccc2)c2coc3ccccc23)cccc1-n1c2ccccc2c2cnccc21.Clc1cccc(N(c2ccccc2)c2coc3ccccc23)c1Cl.c1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C31H20ClN3O.C20H13Cl2NO.C11H8N2/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;21-16-10-6-11-17(20(16)22)23(14-7-2-1-3-8-14)18-13-24-19-12-5-4-9-15(18)19;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-20H;1-13H;1-7,13H
InChIKeyPCOIJWLMWJTEDK-UHFFFAOYSA-N
MW1008.41 g/mol
LogP18.97
Rot. Bonds7

About 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

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 (PubChem CID 165047294) has the molecular formula C62H41Cl3N6O2 and a molecular weight of 1008.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID165047294
Molecular FormulaC62H41Cl3N6O2
Molecular Weight1008.41 g/mol
Exact Mass1006.24
IUPAC NameN-(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
SMILESClc1c(N(c2ccccc2)c2coc3ccccc23)cccc1-n1c2ccccc2c2cnccc21.Clc1cccc(N(c2ccccc2)c2coc3ccccc23)c1Cl.c1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C31H20ClN3O.C20H13Cl2NO.C11H8N2/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;21-16-10-6-11-17(20(16)22)23(14-7-2-1-3-8-14)18-13-24-19-12-5-4-9-15(18)19;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-20H;1-13H;1-7,13H
InChIKeyPCOIJWLMWJTEDK-UHFFFAOYSA-N
XLogP18.97
TPSA79.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.41
LogP ≤ 518.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine
CID 164801685
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
benzylbenzene;2-chloro-3-(2,3-dimethylindol-1-yl)-N,N-diphenylaniline;1-(2,3-dichlorophenyl)-2,3-dimethylindole
CID 158960873
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-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
ethane;5H-pyrido[4,3-b]indole
CID 176987523
8,17-diazatricyclo[8.7.0.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 151112967
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
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
9H-carbazole;N,N-diphenylaniline;pyridine
CID 175394994
1-chloro-N,N-diphenyl-9H-carbazol-2-amine
CID 154703905

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;N-(2,3-dichlorophenyl)-N-phenyl-1-benzofuran-3-amine;5H-pyrido[4,3-b]indole?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1c(N(c2ccccc2)c2coc3ccccc23)cccc1-n1c2ccccc2c2cnccc21.Clc1cccc(N(c2ccccc2)c2coc3ccccc23)c1Cl.c1ccc2c(c1)[nH]c1ccncc12.
What is the InChIKey of 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?
The InChIKey is PCOIJWLMWJTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3O.C20H13Cl2NO.C11H8N2/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;21-16-10-6-11-17(20(16)22)23(14-7-2-1-3-8-14)18-13-24-19-12-5-4-9-15(18)19;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-20H;1-13H;1-7,13H.
What are the key properties of N-(2-chloro-3-pyrido[4,3-b]indol-5-ylphenyl)-N-phenyl-1-benzofuran-3-amine;N-(2,3-dichlorophenyl)-N-phenyl-1-benzofuran-3-amine;5H-pyrido[4,3-b]indole?
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 has a molecular weight of 1008.41 g/mol, XLogP of 18.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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;N-(2,3-dichlorophenyl)-N-phenyl-1-benzofuran-3-amine;5H-pyrido[4,3-b]indole is sourced from PubChem (CID 165047294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).