N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline

C62H43N — CID 175615765

IUPACN-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5-c5ccccc5)cc4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-4-14-44(15-5-1)51-22-12-23-52(40-51)53-24-13-25-59(43-53)63(57-34-28-47(29-35-57)54-27-26-46-18-10-11-21-50(46)41-54)58-36-30-48(31-37-58)60-39-33-56-42-55(45-16-6-2-7-17-45)32-38-61(56)62(60)49-19-8-3-9-20-49/h1-43H
InChIKeyUHDODJPBLACMLG-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline

N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline (PubChem CID 175615765) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline
PubChem CID175615765
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5-c5ccccc5)cc4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-4-14-44(15-5-1)51-22-12-23-52(40-51)53-24-13-25-59(43-53)63(57-34-28-47(29-35-57)54-27-26-46-18-10-11-21-50(46)41-54)58-36-30-48(31-37-58)60-39-33-56-42-55(45-16-6-2-7-17-45)32-38-61(56)62(60)49-19-8-3-9-20-49/h1-43H
InChIKeyUHDODJPBLACMLG-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527560
2,3,5,6-tetradeuterio-N-(4-naphthalen-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527741

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline (CID 175615765) is N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6cc(-c7ccccc7)ccc6c5-c5ccccc5)cc4)c3)c2)cc1.
What is the InChIKey of N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline?
The InChIKey is UHDODJPBLACMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-4-14-44(15-5-1)51-22-12-23-52(40-51)53-24-13-25-59(43-53)63(57-34-28-47(29-35-57)54-27-26-46-18-10-11-21-50(46)41-54)58-36-30-48(31-37-58)60-39-33-56-42-55(45-16-6-2-7-17-45)32-38-61(56)62(60)49-19-8-3-9-20-49/h1-43H.
What are the key properties of N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline?
N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,6-diphenylnaphthalen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 175615765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).