N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine

C62H39NO — CID 169007147

IUPACN-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(N(c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)c3cccc4oc5c6ccccc6ccc5c34)ccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H39NO/c1-2-14-41(15-3-1)58-39-50(32-34-52(58)47-27-25-40-13-4-5-17-43(40)35-47)63(59-23-12-24-60-61(59)56-33-30-42-16-6-9-20-53(42)62(56)64-60)49-31-29-44-36-48(28-26-45(44)37-49)57-38-46-18-7-8-19-51(46)54-21-10-11-22-55(54)57/h1-39H
InChIKeyYJVOIGXMWDXEAH-UHFFFAOYSA-N
MW814.00 g/mol
LogP17.82
Rot. Bonds6

About N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine

N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 169007147) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID169007147
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(N(c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)c3cccc4oc5c6ccccc6ccc5c34)ccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H39NO/c1-2-14-41(15-3-1)58-39-50(32-34-52(58)47-27-25-40-13-4-5-17-43(40)35-47)63(59-23-12-24-60-61(59)56-33-30-42-16-6-9-20-53(42)62(56)64-60)49-31-29-44-36-48(28-26-45(44)37-49)57-38-46-18-7-8-19-51(46)54-21-10-11-22-55(54)57/h1-39H
InChIKeyYJVOIGXMWDXEAH-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 517.82
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-(3-naphthalen-2-yl-4-phenylphenyl)-N-[2-(2-phenanthren-9-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 169007541
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 176587657
N-(3,4-diphenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007480
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N-[3-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007531
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-[4-(2,4-diphenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737688
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 167330620
N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170054534
N-(3-naphthalen-2-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739244
N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739661

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine (CID 169007147) is N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2cc(N(c3ccc4cc(-c5cc6ccccc6c6ccccc56)ccc4c3)c3cccc4oc5c6ccccc6ccc5c34)ccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is YJVOIGXMWDXEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-2-14-41(15-3-1)58-39-50(32-34-52(58)47-27-25-40-13-4-5-17-43(40)35-47)63(59-23-12-24-60-61(59)56-33-30-42-16-6-9-20-53(42)62(56)64-60)49-31-29-44-36-48(28-26-45(44)37-49)57-38-46-18-7-8-19-51(46)54-21-10-11-22-55(54)57/h1-39H.
What are the key properties of N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 814.00 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 169007147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).