N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline

C63H42N2O — CID 171410300

IUPACN-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6nc(-c7ccccc7)oc65)c4)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C63H42N2O/c1-5-17-43(18-6-1)48-27-15-28-51(40-48)65(53-34-37-58(60(42-53)46-21-9-3-10-22-46)57-30-16-26-44-23-13-14-29-54(44)57)52-33-36-55(59(41-52)45-19-7-2-8-20-45)49-31-35-56-50(39-49)32-38-61-62(56)66-63(64-61)47-24-11-4-12-25-47/h1-42H
InChIKeyHCUBESWOKXKTLI-UHFFFAOYSA-N
MW843.04 g/mol
LogP17.61
Rot. Bonds9

About N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline

N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline (PubChem CID 171410300) has the molecular formula C63H42N2O and a molecular weight of 843.04 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
PubChem CID171410300
Molecular FormulaC63H42N2O
Molecular Weight843.04 g/mol
Exact Mass842.33
IUPAC NameN-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6nc(-c7ccccc7)oc65)c4)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C63H42N2O/c1-5-17-43(18-6-1)48-27-15-28-51(40-48)65(53-34-37-58(60(42-53)46-21-9-3-10-22-46)57-30-16-26-44-23-13-14-29-54(44)57)52-33-36-55(59(41-52)45-19-7-2-8-20-45)49-31-35-56-50(39-49)32-38-61-62(56)66-63(64-61)47-24-11-4-12-25-47/h1-42H
InChIKeyHCUBESWOKXKTLI-UHFFFAOYSA-N
XLogP17.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.04
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-benzo[g][1,3]benzoxazol-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081895
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
CID 170425008
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177119511
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 171410589
4-naphthalen-1-yl-3-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 171455953

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline (CID 171410300) is N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(ccc6nc(-c7ccccc7)oc65)c4)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)c(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline?
The InChIKey is HCUBESWOKXKTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O/c1-5-17-43(18-6-1)48-27-15-28-51(40-48)65(53-34-37-58(60(42-53)46-21-9-3-10-22-46)57-30-16-26-44-23-13-14-29-54(44)57)52-33-36-55(59(41-52)45-19-7-2-8-20-45)49-31-35-56-50(39-49)32-38-61-62(56)66-63(64-61)47-24-11-4-12-25-47/h1-42H.
What are the key properties of N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline?
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline has a molecular weight of 843.04 g/mol, XLogP of 17.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 171410300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).