N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine

C48H33NO — CID 164744770

IUPACN,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cc5c(ccc6ccccc65)o4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-9-34(10-4-1)36-15-19-38(20-16-36)40-23-28-43(29-24-40)49(48-33-46-45-14-8-7-13-42(45)27-32-47(46)50-48)44-30-25-41(26-31-44)39-21-17-37(18-22-39)35-11-5-2-6-12-35/h1-33H
InChIKeyMGECEDPOSVDSJP-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine

N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine (PubChem CID 164744770) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine
PubChem CID164744770
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cc5c(ccc6ccccc65)o4)cc3)cc2)cc1
InChIInChI=1S/C48H33NO/c1-3-9-34(10-4-1)36-15-19-38(20-16-36)40-23-28-43(29-24-40)49(48-33-46-45-14-8-7-13-42(45)27-32-47(46)50-48)44-30-25-41(26-31-44)39-21-17-37(18-22-39)35-11-5-2-6-12-35/h1-33H
InChIKeyMGECEDPOSVDSJP-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

Analyze N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-4-phenylaniline
CID 170031307
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168810112
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 88567900
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine?
The IUPAC name of N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine (CID 164744770) is N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine.
What is the SMILES notation for N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine?
The canonical SMILES for N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cc5c(ccc6ccccc65)o4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine?
The InChIKey is MGECEDPOSVDSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-9-34(10-4-1)36-15-19-38(20-16-36)40-23-28-43(29-24-40)49(48-33-46-45-14-8-7-13-42(45)27-32-47(46)50-48)44-30-25-41(26-31-44)39-21-17-37(18-22-39)35-11-5-2-6-12-35/h1-33H.
What are the key properties of N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine?
N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-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 N,N-bis[4-(4-phenylphenyl)phenyl]benzo[e][1]benzofuran-2-amine is sourced from PubChem (CID 164744770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).