11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C58H38N2O — CID 176795822

IUPAC11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-46(32-28-41)59(47-23-14-20-43(37-47)40-17-6-2-7-18-40)53-35-34-49(57-56-48-24-11-10-19-42(48)30-36-55(56)61-58(53)57)44-29-33-51-50-25-12-13-26-52(50)60(54(51)38-44)45-21-8-3-9-22-45/h1-38H
InChIKeyMDXNKZMXWIVFMO-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 176795822) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID176795822
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-46(32-28-41)59(47-23-14-20-43(37-47)40-17-6-2-7-18-40)53-35-34-49(57-56-48-24-11-10-19-42(48)30-36-55(56)61-58(53)57)44-29-33-51-50-25-12-13-26-52(50)60(54(51)38-44)45-21-8-3-9-22-45/h1-38H
InChIKeyMDXNKZMXWIVFMO-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-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-naphthalen-2-yl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796125
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
8-(9-phenylcarbazol-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795939
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-amine
CID 148903571
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 149125830
8-(9-phenylcarbazol-1-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795645
N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 129178935
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330428
N-phenyl-11-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795749
8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
CID 166856795

Frequently Asked Questions

What is the IUPAC name of 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 176795822) is 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c3oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is MDXNKZMXWIVFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-4-15-39(16-5-1)41-27-31-46(32-28-41)59(47-23-14-20-43(37-47)40-17-6-2-7-18-40)53-35-34-49(57-56-48-24-11-10-19-42(48)30-36-55(56)61-58(53)57)44-29-33-51-50-25-12-13-26-52(50)60(54(51)38-44)45-21-8-3-9-22-45/h1-38H.
What are the key properties of 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 176795822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).