4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

C48H33NO — CID 177069333

IUPAC4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-4-16-34(17-5-1)37-22-14-23-38(32-37)39-24-15-25-40(33-39)49(44-28-12-10-26-41(44)35-18-6-2-7-19-35)45-31-30-42(36-20-8-3-9-21-36)48-47(45)43-27-11-13-29-46(43)50-48/h1-33H
InChIKeyAYRBDIWXZOHYDN-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069333) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069333
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3)c2)cc1
InChIInChI=1S/C48H33NO/c1-4-16-34(17-5-1)37-22-14-23-38(32-37)39-24-15-25-40(33-39)49(44-28-12-10-26-41(44)35-18-6-2-7-19-35)45-31-30-42(36-20-8-3-9-21-36)48-47(45)43-27-11-13-29-46(43)50-48/h1-33H
InChIKeyAYRBDIWXZOHYDN-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069608
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
4-naphthalen-1-yl-N-(2-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069748
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
4-phenanthren-9-yl-N-[2-(4-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069852
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
N-(2-phenanthren-9-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069853
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460
N-phenanthren-2-yl-N-(2-phenylphenyl)-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820810
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069333) is 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3cccc(N(c4ccccc4-c4ccccc4)c4ccc(-c5ccccc5)c5oc6ccccc6c45)c3)c2)cc1.
What is the InChIKey of 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is AYRBDIWXZOHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-4-16-34(17-5-1)37-22-14-23-38(32-37)39-24-15-25-40(33-39)49(44-28-12-10-26-41(44)35-18-6-2-7-19-35)45-31-30-42(36-20-8-3-9-21-36)48-47(45)43-27-11-13-29-46(43)50-48/h1-33H.
What are the key properties of 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).