4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

C37H27NO — CID 157259668

IUPAC4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESCc1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc2c1oc1ccccc12
InChIInChI=1S/C37H27NO/c1-26-35(25-24-34-33-14-8-9-15-36(33)39-37(26)34)38(31-20-16-29(17-21-31)27-10-4-2-5-11-27)32-22-18-30(19-23-32)28-12-6-3-7-13-28/h2-25H,1H3
InChIKeyMEJOCZOLPNDKDH-UHFFFAOYSA-N
MW501.63 g/mol
LogP10.70
Rot. Bonds5

About 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 157259668) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID157259668
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESCc1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc2c1oc1ccccc12
InChIInChI=1S/C37H27NO/c1-26-35(25-24-34-33-14-8-9-15-36(33)39-37(26)34)38(31-20-16-29(17-21-31)27-10-4-2-5-11-27)32-22-18-30(19-23-32)28-12-6-3-7-13-28/h2-25H,1H3
InChIKeyMEJOCZOLPNDKDH-UHFFFAOYSA-N
XLogP10.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138708428
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 135277386
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N,4-diphenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-N,4-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160729706
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (CID 157259668) is 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is Cc1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc2c1oc1ccccc12.
What is the InChIKey of 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is MEJOCZOLPNDKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-26-35(25-24-34-33-14-8-9-15-36(33)39-37(26)34)38(31-20-16-29(17-21-31)27-10-4-2-5-11-27)32-22-18-30(19-23-32)28-12-6-3-7-13-28/h2-25H,1H3.
What are the key properties of 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 501.63 g/mol, XLogP of 10.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 157259668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).