4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline

C42H29NO — CID 164934515

IUPAC4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-9-29(10-4-1)31-15-17-33(18-16-31)39-28-36(43-35-22-19-32(20-23-35)30-11-5-2-6-12-30)24-25-37(39)34-21-26-42-40(27-34)38-13-7-8-14-41(38)44-42/h1-28,43H
InChIKeyWUWZVEVSHOVCJQ-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.00
Rot. Bonds6

About 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline

4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline (PubChem CID 164934515) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
PubChem CID164934515
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-9-29(10-4-1)31-15-17-33(18-16-31)39-28-36(43-35-22-19-32(20-23-35)30-11-5-2-6-12-30)24-25-37(39)34-21-26-42-40(27-34)38-13-7-8-14-41(38)44-42/h1-28,43H
InChIKeyWUWZVEVSHOVCJQ-UHFFFAOYSA-N
XLogP12.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 512.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
4-(4,8-diphenyldibenzofuran-2-yl)-N-phenylaniline
CID 164934450
2,3-diphenyldibenzofuran
CID 12699263
4-(3-dibenzofuran-2-ylphenyl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 129086279
2-(2,6,7-triphenyl-9H-fluoren-3-yl)dibenzofuran
CID 158711757
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 129199649
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline?
The IUPAC name of 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline (CID 164934515) is 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline?
The canonical SMILES for 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc5oc6ccccc6c5c4)c(-c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline?
The InChIKey is WUWZVEVSHOVCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-9-29(10-4-1)31-15-17-33(18-16-31)39-28-36(43-35-22-19-32(20-23-35)30-11-5-2-6-12-30)24-25-37(39)34-21-26-42-40(27-34)38-13-7-8-14-41(38)44-42/h1-28,43H.
What are the key properties of 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline?
4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline has a molecular weight of 563.70 g/mol, XLogP of 12.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-N,3-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 164934515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).