N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C52H33NO — CID 170140386

IUPACN-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-9-34(10-3-1)38-13-8-14-42(32-38)53(43-25-29-49-51(33-43)54-50-30-22-37-12-5-7-16-46(37)52(49)50)41-23-17-35(18-24-41)39-20-26-45-40(31-39)21-28-47-44-15-6-4-11-36(44)19-27-48(45)47/h1-33H
InChIKeyJKWNHOBUMWPQJI-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 170140386) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID170140386
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1
InChIInChI=1S/C52H33NO/c1-2-9-34(10-3-1)38-13-8-14-42(32-38)53(43-25-29-49-51(33-43)54-50-30-22-37-12-5-7-16-46(37)52(49)50)41-23-17-35(18-24-41)39-20-26-45-40(31-39)21-28-47-44-15-6-4-11-36(44)19-27-48(45)47/h1-33H
InChIKeyJKWNHOBUMWPQJI-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
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

3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-chrysen-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 170137527
N-dibenzofuran-3-yl-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743078
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-chrysen-2-ylphenyl)-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 170137651
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 170140386) is N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is JKWNHOBUMWPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-9-34(10-3-1)38-13-8-14-42(32-38)53(43-25-29-49-51(33-43)54-50-30-22-37-12-5-7-16-46(37)52(49)50)41-23-17-35(18-24-41)39-20-26-45-40(31-39)21-28-47-44-15-6-4-11-36(44)19-27-48(45)47/h1-33H.
What are the key properties of N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 170140386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).