4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H35NO — CID 170243095

IUPAC4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)c5oc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-27-43(28-21-38)53(44-29-22-39(23-30-44)37-14-6-2-7-15-37)45-31-24-42(25-32-45)46-34-35-48(40-16-8-3-9-17-40)52-50(46)49-33-26-41-18-10-11-19-47(41)51(49)54-52/h1-35H
InChIKeyKHHVKMDXHXXJCQ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 170243095) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID170243095
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)c5oc6c7ccccc7ccc6c45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-27-43(28-21-38)53(44-29-22-39(23-30-44)37-14-6-2-7-15-37)45-31-24-42(25-32-45)46-34-35-48(40-16-8-3-9-17-40)52-50(46)49-33-26-41-18-10-11-19-47(41)51(49)54-52/h1-35H
InChIKeyKHHVKMDXHXXJCQ-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline 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

4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 174179628
N,9-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675430
4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
CID 156553824
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804010
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 170675326
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 170243095) is 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5)c5oc6c7ccccc7ccc6c45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is KHHVKMDXHXXJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-12-36(13-5-1)38-20-27-43(28-21-38)53(44-29-22-39(23-30-44)37-14-6-2-7-15-37)45-31-24-42(25-32-45)46-34-35-48(40-16-8-3-9-17-40)52-50(46)49-33-26-41-18-10-11-19-47(41)51(49)54-52/h1-35H.
What are the key properties of 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170243095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).