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

C56H45NO — CID 174179628

IUPAC4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C6C7CC8CC(C7)CC6C8)cc5)cc4)c4c3oc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C56H45NO/c1-3-9-38(10-4-1)39-15-17-42(18-16-39)51-30-29-49(54-52-28-23-40-11-7-8-14-50(40)55(52)58-56(51)54)41-19-24-47(25-20-41)57(46-12-5-2-6-13-46)48-26-21-43(22-27-48)53-44-32-36-31-37(34-44)35-45(53)33-36/h1-30,36-37,44-45,53H,31-35H2
InChIKeyHITORJQNLQEIFU-UHFFFAOYSA-N
MW747.98 g/mol
LogP15.75
Rot. Bonds7

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

4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline (PubChem CID 174179628) has the molecular formula C56H45NO and a molecular weight of 747.98 g/mol. Its IUPAC name is 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline.

Molecular Properties

Compound Name4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
PubChem CID174179628
Molecular FormulaC56H45NO
Molecular Weight747.98 g/mol
Exact Mass747.35
IUPAC Name4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C6C7CC8CC(C7)CC6C8)cc5)cc4)c4c3oc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C56H45NO/c1-3-9-38(10-4-1)39-15-17-42(18-16-39)51-30-29-49(54-52-28-23-40-11-7-8-14-50(40)55(52)58-56(51)54)41-19-24-47(25-20-41)57(46-12-5-2-6-13-46)48-26-21-43(22-27-48)53-44-32-36-31-37(34-44)35-45(53)33-36/h1-30,36-37,44-45,53H,31-35H2
InChIKeyHITORJQNLQEIFU-UHFFFAOYSA-N
XLogP15.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]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-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170243095
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,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
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-(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-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820436
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 170675326
N-(4-dibenzofuran-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330776

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
The IUPAC name of 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline (CID 174179628) is 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline.
What is the SMILES notation for 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
The canonical SMILES for 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C6C7CC8CC(C7)CC6C8)cc5)cc4)c4c3oc3c5ccccc5ccc34)cc2)cc1.
What is the InChIKey of 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
The InChIKey is HITORJQNLQEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO/c1-3-9-38(10-4-1)39-15-17-42(18-16-39)51-30-29-49(54-52-28-23-40-11-7-8-14-50(40)55(52)58-56(51)54)41-19-24-47(25-20-41)57(46-12-5-2-6-13-46)48-26-21-43(22-27-48)53-44-32-36-31-37(34-44)35-45(53)33-36/h1-30,36-37,44-45,53H,31-35H2.
What are the key properties of 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline?
4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline has a molecular weight of 747.98 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline is sourced from PubChem (CID 174179628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).