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

C49H35NO — CID 164744427

IUPACN-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2cccc3oc4ccccc4c23)ccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C49H35NO/c1-34-33-39(31-32-40(34)44-22-11-10-21-43(44)36-17-6-3-7-18-36)50(46-24-14-26-48-49(46)45-23-12-13-25-47(45)51-48)38-29-27-37(28-30-38)42-20-9-8-19-41(42)35-15-4-2-5-16-35/h2-33H,1H3
InChIKeyGINYONFCOJRPSS-UHFFFAOYSA-N
MW653.83 g/mol
LogP14.03
Rot. Bonds7

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

N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 164744427) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID164744427
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC NameN-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2cccc3oc4ccccc4c23)ccc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C49H35NO/c1-34-33-39(31-32-40(34)44-22-11-10-21-43(44)36-17-6-3-7-18-36)50(46-24-14-26-48-49(46)45-23-12-13-25-47(45)51-48)38-29-27-37(28-30-38)42-20-9-8-19-41(42)35-15-4-2-5-16-35/h2-33H,1H3
InChIKeyGINYONFCOJRPSS-UHFFFAOYSA-N
XLogP14.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 164744427) is N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is Cc1cc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2cccc3oc4ccccc4c23)ccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is GINYONFCOJRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-34-33-39(31-32-40(34)44-22-11-10-21-43(44)36-17-6-3-7-18-36)50(46-24-14-26-48-49(46)45-23-12-13-25-47(45)51-48)38-29-27-37(28-30-38)42-20-9-8-19-41(42)35-15-4-2-5-16-35/h2-33H,1H3.
What are the key properties of N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 653.83 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 164744427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).