N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

C56H35NO — CID 169007176

IUPACN-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5c(-c6cc7ccccc7c7ccccc67)cccc5c4)c4ccc5c(c4)oc4cc6ccccc6cc45)cc3)ccc2c1
InChIInChI=1S/C56H35NO/c1-2-11-38-30-41(21-20-36(38)10-1)37-22-24-44(25-23-37)57(46-27-29-52-54-32-39-12-3-4-13-40(39)34-55(54)58-56(52)35-46)45-26-28-48-42(31-45)15-9-19-50(48)53-33-43-14-5-6-16-47(43)49-17-7-8-18-51(49)53/h1-35H
InChIKeyFPOXVTQFNKIHRI-UHFFFAOYSA-N
MW737.90 g/mol
LogP16.16
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169007176) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169007176
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc5c(-c6cc7ccccc7c7ccccc67)cccc5c4)c4ccc5c(c4)oc4cc6ccccc6cc45)cc3)ccc2c1
InChIInChI=1S/C56H35NO/c1-2-11-38-30-41(21-20-36(38)10-1)37-22-24-44(25-23-37)57(46-27-29-52-54-32-39-12-3-4-13-40(39)34-55(54)58-56(52)35-46)45-26-28-48-42(31-45)15-9-19-50(48)53-33-43-14-5-6-16-47(43)49-17-7-8-18-51(49)53/h1-35H
InChIKeyFPOXVTQFNKIHRI-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.90
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007331
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
CID 139297893
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 166566331
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
7-phenyl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352672
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169007176) is N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc2cc(-c3ccc(N(c4ccc5c(-c6cc7ccccc7c7ccccc67)cccc5c4)c4ccc5c(c4)oc4cc6ccccc6cc45)cc3)ccc2c1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is FPOXVTQFNKIHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-2-11-38-30-41(21-20-36(38)10-1)37-22-24-44(25-23-37)57(46-27-29-52-54-32-39-12-3-4-13-40(39)34-55(54)58-56(52)35-46)45-26-28-48-42(31-45)15-9-19-50(48)53-33-43-14-5-6-16-47(43)49-17-7-8-18-51(49)53/h1-35H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 737.90 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169007176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).