N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H39NO — CID 167253431

IUPACN-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5oc6c7ccccc7c(-c7ccccc7)cc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-5-15-40(16-6-1)43-25-31-48(32-26-43)59(49-33-27-44(28-34-49)41-17-7-2-8-18-41)50-35-29-46(30-36-50)54-37-47(42-19-9-3-10-20-42)38-56-57(54)55-39-53(45-21-11-4-12-22-45)51-23-13-14-24-52(51)58(55)60-56/h1-39H
InChIKeyXPGKEFSFCXDIAN-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.54
Rot. Bonds8

About N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167253431) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167253431
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5oc6c7ccccc7c(-c7ccccc7)cc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-5-15-40(16-6-1)43-25-31-48(32-26-43)59(49-33-27-44(28-34-49)41-17-7-2-8-18-41)50-35-29-46(30-36-50)54-37-47(42-19-9-3-10-20-42)38-56-57(54)55-39-53(45-21-11-4-12-22-45)51-23-13-14-24-52(51)58(55)60-56/h1-39H
InChIKeyXPGKEFSFCXDIAN-UHFFFAOYSA-N
XLogP16.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167253438
4-phenyl-N-[4-[4-(18-phenyl-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-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 171433357
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 155423361
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
4-phenyl-N-[4-(17-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171433109
N-[4-(7-chloronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N,4-diphenylaniline
CID 167190989
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
5,9-diphenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171752136

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 167253431) is N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc(-c5ccccc5)cc5oc6c7ccccc7c(-c7ccccc7)cc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is XPGKEFSFCXDIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-5-15-40(16-6-1)43-25-31-48(32-26-43)59(49-33-27-44(28-34-49)41-17-7-2-8-18-41)50-35-29-46(30-36-50)54-37-47(42-19-9-3-10-20-42)38-56-57(54)55-39-53(45-21-11-4-12-22-45)51-23-13-14-24-52(51)58(55)60-56/h1-39H.
What are the key properties of N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 765.96 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167253431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).