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7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

C52H35NO — CID 155423526

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)37-27-29-38(30-28-37)39-31-33-42(34-32-39)53(48-25-13-12-21-43(48)40-17-6-2-7-18-40)49-35-47-51-44(41-19-8-3-9-20-41)24-14-26-50(51)54-52(47)46-23-11-10-22-45(46)49/h1-35H
InChIKeyBDBCKYCPCGEMGY-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine

7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (PubChem CID 155423526) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
PubChem CID155423526
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)37-27-29-38(30-28-37)39-31-33-42(34-32-39)53(48-25-13-12-21-43(48)40-17-6-2-7-18-40)49-35-47-51-44(41-19-8-3-9-20-41)24-14-26-50(51)54-52(47)46-23-11-10-22-45(46)49/h1-35H
InChIKeyBDBCKYCPCGEMGY-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The IUPAC name of 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine (CID 155423526) is 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine.
What is the SMILES notation for 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The canonical SMILES for 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
The InChIKey is BDBCKYCPCGEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-15-36(16-5-1)37-27-29-38(30-28-37)39-31-33-42(34-32-39)53(48-25-13-12-21-43(48)40-17-6-2-7-18-40)49-35-47-51-44(41-19-8-3-9-20-41)24-14-26-50(51)54-52(47)46-23-11-10-22-45(46)49/h1-35H.
What are the key properties of 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine?
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine is sourced from PubChem (CID 155423526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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