N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine

C41H27N3O — CID 170177327

IUPACN-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cnc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C41H27N3O/c1-2-14-30(15-3-1)43(33-26-37-36-20-6-9-23-40(36)45-41(37)42-27-33)31-16-10-12-28(24-31)29-13-11-17-32(25-29)44-38-21-7-4-18-34(38)35-19-5-8-22-39(35)44/h1-27H
InChIKeyVGOJLQFQZONBQL-UHFFFAOYSA-N
MW577.69 g/mol
LogP11.21
Rot. Bonds5

About N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine

N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine (PubChem CID 170177327) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine
PubChem CID170177327
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC NameN-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine
SMILESc1ccc(N(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cnc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C41H27N3O/c1-2-14-30(15-3-1)43(33-26-37-36-20-6-9-23-40(36)45-41(37)42-27-33)31-16-10-12-28(24-31)29-13-11-17-32(25-29)44-38-21-7-4-18-34(38)35-19-5-8-22-39(35)44/h1-27H
InChIKeyVGOJLQFQZONBQL-UHFFFAOYSA-N
XLogP11.21
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine?
The IUPAC name of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine (CID 170177327) is N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine is c1ccc(N(c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2cnc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine?
The InChIKey is VGOJLQFQZONBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-2-14-30(15-3-1)43(33-26-37-36-20-6-9-23-40(36)45-41(37)42-27-33)31-16-10-12-28(24-31)29-13-11-17-32(25-29)44-38-21-7-4-18-34(38)35-19-5-8-22-39(35)44/h1-27H.
What are the key properties of N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine?
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine has a molecular weight of 577.69 g/mol, XLogP of 11.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine is sourced from PubChem (CID 170177327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).