N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

C47H33NO — CID 177080725

IUPACN-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C47H33NO/c1-32-21-23-35(24-22-32)41-30-29-38(31-44(41)34-11-3-2-4-12-34)48(45-19-10-18-43-42-16-7-8-20-46(42)49-47(43)45)37-27-25-36(26-28-37)40-17-9-14-33-13-5-6-15-39(33)40/h2-31H,1H3
InChIKeyCOHADNDJWALTSH-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.52
Rot. Bonds6

About N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 177080725) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID177080725
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1
InChIInChI=1S/C47H33NO/c1-32-21-23-35(24-22-32)41-30-29-38(31-44(41)34-11-3-2-4-12-34)48(45-19-10-18-43-42-16-7-8-20-46(42)49-47(43)45)37-27-25-36(26-28-37)40-17-9-14-33-13-5-6-15-39(33)40/h2-31H,1H3
InChIKeyCOHADNDJWALTSH-UHFFFAOYSA-N
XLogP13.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080706
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-5-naphthalen-1-yl-2-phenylaniline
CID 167235611
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-naphthalen-2-yldibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 158603795
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 177080725) is N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is Cc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is COHADNDJWALTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-32-21-23-35(24-22-32)41-30-29-38(31-44(41)34-11-3-2-4-12-34)48(45-19-10-18-43-42-16-7-8-20-46(42)49-47(43)45)37-27-25-36(26-28-37)40-17-9-14-33-13-5-6-15-39(33)40/h2-31H,1H3.
What are the key properties of N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine has a molecular weight of 627.79 g/mol, XLogP of 13.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-3-phenylphenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 177080725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).