5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C52H35NO — CID 167253438

IUPAC5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4oc5c6ccccc6c(-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-5-15-36(16-6-1)39-25-29-43(30-26-39)53(44-31-27-40(28-32-44)37-17-7-2-8-18-37)49-33-42(38-19-9-3-10-20-38)34-50-51(49)48-35-47(41-21-11-4-12-22-41)45-23-13-14-24-46(45)52(48)54-50/h1-35H
InChIKeyKGYVMSLVQFNBEN-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 167253438) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound Name5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID167253438
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4oc5c6ccccc6c(-c6ccccc6)cc5c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-5-15-36(16-6-1)39-25-29-43(30-26-39)53(44-31-27-40(28-32-44)37-17-7-2-8-18-37)49-33-42(38-19-9-3-10-20-38)34-50-51(49)48-35-47(41-21-11-4-12-22-41)45-23-13-14-24-46(45)52(48)54-50/h1-35H
InChIKeyKGYVMSLVQFNBEN-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

Analyze 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167253431
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N,18-diphenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-amine
CID 171433087
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171752136
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 167402145
6-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 169280658
N-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315
N-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423284
N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 174329064

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 167253438) is 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc4oc5c6ccccc6c(-c6ccccc6)cc5c34)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is KGYVMSLVQFNBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-5-15-36(16-6-1)39-25-29-43(30-26-39)53(44-31-27-40(28-32-44)37-17-7-2-8-18-37)49-33-42(38-19-9-3-10-20-38)34-50-51(49)48-35-47(41-21-11-4-12-22-41)45-23-13-14-24-46(45)52(48)54-50/h1-35H.
What are the key properties of 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-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 5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 167253438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).