N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline

C53H35N3O — CID 170177534

IUPACN-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccncc45)cc3)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C53H35N3O/c1-3-14-36(15-4-1)42-22-13-27-50(52(42)38-16-11-19-41(34-38)56-48-25-9-7-20-44(48)45-21-8-10-26-49(45)56)55(39-17-5-2-6-18-39)40-30-28-37(29-31-40)43-23-12-24-46-47-35-54-33-32-51(47)57-53(43)46/h1-35H
InChIKeyCCDJUFQSAPWJLR-UHFFFAOYSA-N
MW729.88 g/mol
LogP14.55
Rot. Bonds7

About N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline

N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline (PubChem CID 170177534) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline
PubChem CID170177534
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC NameN-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccncc45)cc3)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C53H35N3O/c1-3-14-36(15-4-1)42-22-13-27-50(52(42)38-16-11-19-41(34-38)56-48-25-9-7-20-44(48)45-21-8-10-26-49(45)56)55(39-17-5-2-6-18-39)40-30-28-37(29-31-40)43-23-12-24-46-47-35-54-33-32-51(47)57-53(43)46/h1-35H
InChIKeyCCDJUFQSAPWJLR-UHFFFAOYSA-N
XLogP14.55
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline with MolForge

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Related Compounds

3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789400
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314971
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-6-[9-[3-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]naphthalen-1-amine
CID 166881758
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 158717061
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[3-(4-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153314668
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 176609625
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline (CID 170177534) is N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccncc45)cc3)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline?
The InChIKey is CCDJUFQSAPWJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-3-14-36(15-4-1)42-22-13-27-50(52(42)38-16-11-19-41(34-38)56-48-25-9-7-20-44(48)45-21-8-10-26-49(45)56)55(39-17-5-2-6-18-39)40-30-28-37(29-31-40)43-23-12-24-46-47-35-54-33-32-51(47)57-53(43)46/h1-35H.
What are the key properties of N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline?
N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline has a molecular weight of 729.88 g/mol, XLogP of 14.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]pyridin-6-yl)phenyl]-2-(3-carbazol-9-ylphenyl)-N,3-diphenylaniline is sourced from PubChem (CID 170177534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).