4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline

C41H27N3O — CID 170177041

IUPAC4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4oc5cccnc5c34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C41H27N3O/c1-2-10-29(11-3-1)43(30-21-19-28(20-22-30)33-14-8-17-38-40(33)41-39(45-38)18-9-27-42-41)31-23-25-32(26-24-31)44-36-15-6-4-12-34(36)35-13-5-7-16-37(35)44/h1-27H
InChIKeyQMSAZCRRPACQDS-UHFFFAOYSA-N
MW577.69 g/mol
LogP11.21
Rot. Bonds5

About 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline

4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline (PubChem CID 170177041) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
PubChem CID170177041
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4oc5cccnc5c34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C41H27N3O/c1-2-10-29(11-3-1)43(30-21-19-28(20-22-30)33-14-8-17-38-40(33)41-39(45-38)18-9-27-42-41)31-23-25-32(26-24-31)44-36-15-6-4-12-34(36)35-13-5-7-16-37(35)44/h1-27H
InChIKeyQMSAZCRRPACQDS-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-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]naphthalen-2-amine
CID 170177075
N-[4-([1]benzofuro[3,2-b]pyridin-9-yl)phenyl]-N-[4-(4-carbazol-9-ylnaphthalen-2-yl)phenyl]naphthalen-2-amine
CID 170177584
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018
N-(4-carbazol-9-ylphenyl)-N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]-4-phenylaniline
CID 149051843
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
8-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122692983

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline (CID 170177041) is 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc4oc5cccnc5c34)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
The InChIKey is QMSAZCRRPACQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-2-10-29(11-3-1)43(30-21-19-28(20-22-30)33-14-8-17-38-40(33)41-39(45-38)18-9-27-42-41)31-23-25-32(26-24-31)44-36-15-6-4-12-34(36)35-13-5-7-16-37(35)44/h1-27H.
What are the key properties of 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline?
4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline 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 4-([1]benzofuro[3,2-b]pyridin-9-yl)-N-(4-carbazol-9-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170177041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).