N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

C60H37NO — CID 169007177

IUPACN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3cc(N(c4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4)c4ccc5oc6c7ccccc7ccc6c5c4)cc4ccccc34)cccc2c1
InChIInChI=1S/C60H37NO/c1-5-17-48-39(12-1)16-11-23-53(48)57-37-47(33-41-14-3-7-19-50(41)57)61(46-29-31-59-58(36-46)55-30-27-40-13-2-8-20-51(40)60(55)62-59)45-28-26-38-24-25-43(32-44(38)34-45)56-35-42-15-4-6-18-49(42)52-21-9-10-22-54(52)56/h1-37H
InChIKeyVAMACHOEHDIBNX-UHFFFAOYSA-N
MW787.96 g/mol
LogP17.31
Rot. Bonds5

About N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 169007177) has the molecular formula C60H37NO and a molecular weight of 787.96 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID169007177
Molecular FormulaC60H37NO
Molecular Weight787.96 g/mol
Exact Mass787.29
IUPAC NameN-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3cc(N(c4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4)c4ccc5oc6c7ccccc7ccc6c5c4)cc4ccccc34)cccc2c1
InChIInChI=1S/C60H37NO/c1-5-17-48-39(12-1)16-11-23-53(48)57-37-47(33-41-14-3-7-19-50(41)57)61(46-29-31-59-58(36-46)55-30-27-40-13-2-8-20-51(40)60(55)62-59)45-28-26-38-24-25-43(32-44(38)34-45)56-35-42-15-4-6-18-49(42)52-21-9-10-22-54(52)56/h1-37H
InChIKeyVAMACHOEHDIBNX-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.96
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-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-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007089
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169007772
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322
N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007721
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277148
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167277976
N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007147

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (CID 169007177) is N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc2c(-c3cc(N(c4ccc5ccc(-c6cc7ccccc7c7ccccc67)cc5c4)c4ccc5oc6c7ccccc7ccc6c5c4)cc4ccccc34)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is VAMACHOEHDIBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NO/c1-5-17-48-39(12-1)16-11-23-53(48)57-37-47(33-41-14-3-7-19-50(41)57)61(46-29-31-59-58(36-46)55-30-27-40-13-2-8-20-51(40)60(55)62-59)45-28-26-38-24-25-43(32-44(38)34-45)56-35-42-15-4-6-18-49(42)52-21-9-10-22-54(52)56/h1-37H.
What are the key properties of N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 787.96 g/mol, XLogP of 17.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 169007177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).