N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

C56H35NO — CID 169007089

IUPACN-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(-c6cc7ccccc7c7ccccc67)cccc5c4)c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C56H35NO/c1-4-16-44-36(11-1)14-9-21-45(44)38-23-26-41(27-24-38)57(43-29-32-55-54(35-43)52-30-25-37-12-2-6-18-48(37)56(52)58-55)42-28-31-47-39(33-42)15-10-22-50(47)53-34-40-13-3-5-17-46(40)49-19-7-8-20-51(49)53/h1-35H
InChIKeyFULRIGNOAYQPQH-UHFFFAOYSA-N
MW737.90 g/mol
LogP16.16
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine

N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 169007089) has the molecular formula C56H35NO and a molecular weight of 737.90 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
PubChem CID169007089
Molecular FormulaC56H35NO
Molecular Weight737.90 g/mol
Exact Mass737.27
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(-c6cc7ccccc7c7ccccc67)cccc5c4)c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cccc2c1
InChIInChI=1S/C56H35NO/c1-4-16-44-36(11-1)14-9-21-45(44)38-23-26-41(27-24-38)57(43-29-32-55-54(35-43)52-30-25-37-12-2-6-18-48(37)56(52)58-55)42-28-31-47-39(33-42)15-10-22-50(47)53-34-40-13-3-5-17-46(40)49-19-7-8-20-51(49)53/h1-35H
InChIKeyFULRIGNOAYQPQH-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-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167277322
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007177
N-(5-phenanthren-9-ylnaphthalen-1-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169007721
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063299
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-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-3-amine
CID 167277546
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-(4-naphthalen-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 167331123
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 169285130
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine (CID 169007089) is N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is c1ccc2c(-c3ccc(N(c4ccc5c(-c6cc7ccccc7c7ccccc67)cccc5c4)c4ccc5oc6c7ccccc7ccc6c5c4)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is FULRIGNOAYQPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO/c1-4-16-44-36(11-1)14-9-21-45(44)38-23-26-41(27-24-38)57(43-29-32-55-54(35-43)52-30-25-37-12-2-6-18-48(37)56(52)58-55)42-28-31-47-39(33-42)15-10-22-50(47)53-34-40-13-3-5-17-46(40)49-19-7-8-20-51(49)53/h1-35H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine?
N-(4-naphthalen-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-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-1-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 169007089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).