N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine

C52H33NO — CID 170675888

IUPACN-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6c7ccccc7ccc6c45)cc3)c3cccc4cc5c(cc34)oc3ccccc35)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(49-18-9-14-39-32-48-45-16-6-7-19-50(45)54-51(48)33-47(39)49)41-28-22-37(23-29-41)43-17-8-13-38-25-30-44-42-15-5-4-12-36(42)24-31-46(44)52(38)43/h1-33H
InChIKeyVWCJRRKGCNBAHN-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine

N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine (PubChem CID 170675888) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
PubChem CID170675888
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6c7ccccc7ccc6c45)cc3)c3cccc4cc5c(cc34)oc3ccccc35)cc2)cc1
InChIInChI=1S/C52H33NO/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(49-18-9-14-39-32-48-45-16-6-7-19-50(45)54-51(48)33-47(39)49)41-28-22-37(23-29-41)43-17-8-13-38-25-30-44-42-15-5-4-12-36(42)24-31-46(44)52(38)43/h1-33H
InChIKeyVWCJRRKGCNBAHN-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

N-chrysen-5-yl-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine
CID 170140601
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-(3-naphthalen-1-yl-2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274624
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-9-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 177274561
N-(2-dibenzofuran-3-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274744
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-(4-dibenzofuran-2-ylphenyl)-5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235297
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301545
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 170665807

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine (CID 170675888) is N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6c7ccccc7ccc6c45)cc3)c3cccc4cc5c(cc34)oc3ccccc35)cc2)cc1.
What is the InChIKey of N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
The InChIKey is VWCJRRKGCNBAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(49-18-9-14-39-32-48-45-16-6-7-19-50(45)54-51(48)33-47(39)49)41-28-22-37(23-29-41)43-17-8-13-38-25-30-44-42-15-5-4-12-36(42)24-31-46(44)52(38)43/h1-33H.
What are the key properties of N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine?
N-(4-chrysen-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-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-4-ylphenyl)-N-(4-phenylphenyl)naphtho[7,6-b][1]benzofuran-7-amine is sourced from PubChem (CID 170675888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).