9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine

C58H40N2O — CID 166856280

IUPAC9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6ccccc6c54)c3N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C58H40N2O/c1-5-16-41(17-6-1)44-28-33-49(34-29-44)59(48-24-11-4-12-25-48)54-38-37-53-56-52-27-14-13-22-46(52)32-39-55(56)61-58(53)57(54)60(50-35-30-45(31-36-50)42-18-7-2-8-19-42)51-26-15-23-47(40-51)43-20-9-3-10-21-43/h1-40H
InChIKeyTXUCNUBWQPFPPF-UHFFFAOYSA-N
MW780.97 g/mol
LogP16.68
Rot. Bonds9

About 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine

9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine (PubChem CID 166856280) has the molecular formula C58H40N2O and a molecular weight of 780.97 g/mol. Its IUPAC name is 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine.

Molecular Properties

Compound Name9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
PubChem CID166856280
Molecular FormulaC58H40N2O
Molecular Weight780.97 g/mol
Exact Mass780.31
IUPAC Name9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6ccccc6c54)c3N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C58H40N2O/c1-5-16-41(17-6-1)44-28-33-49(34-29-44)59(48-24-11-4-12-25-48)54-38-37-53-56-52-27-14-13-22-46(52)32-39-55(56)61-58(53)57(54)60(50-35-30-45(31-36-50)42-18-7-2-8-19-42)51-26-15-23-47(40-51)43-20-9-3-10-21-43/h1-40H
InChIKeyTXUCNUBWQPFPPF-UHFFFAOYSA-N
XLogP16.68
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.97
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine 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-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
CID 166856795
8-N,9-N,9-N-triphenyl-8-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine
CID 166856528
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 167183316
N-(4-naphthalen-2-ylphenyl)-N,3-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 177131034
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 169285534
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-6-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289739
N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 177130948
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058

Frequently Asked Questions

What is the IUPAC name of 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
The IUPAC name of 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine (CID 166856280) is 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine.
What is the SMILES notation for 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
The canonical SMILES for 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(oc5ccc6ccccc6c54)c3N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
The InChIKey is TXUCNUBWQPFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2O/c1-5-16-41(17-6-1)44-28-33-49(34-29-44)59(48-24-11-4-12-25-48)54-38-37-53-56-52-27-14-13-22-46(52)32-39-55(56)61-58(53)57(54)60(50-35-30-45(31-36-50)42-18-7-2-8-19-42)51-26-15-23-47(40-51)43-20-9-3-10-21-43/h1-40H.
What are the key properties of 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine?
9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine has a molecular weight of 780.97 g/mol, XLogP of 16.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-phenyl-8-N-(3-phenylphenyl)-8-N,9-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,9-diamine is sourced from PubChem (CID 166856280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).