6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine

C65H46N2O — CID 171410280

IUPAC6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(CCc2ccccc2N(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)c2ccc3cc(-c4ccc(-c5ccc6c(ccc7nc(-c8ccccc8)oc76)c5)cc4)ccc3c2)cc1
InChIInChI=1S/C65H46N2O/c1-4-13-45(14-5-1)23-24-51-17-10-11-22-63(51)67(59-21-12-20-53(43-59)48-27-25-47(26-28-48)46-15-6-2-7-16-46)60-38-35-56-41-54(33-34-57(56)44-60)49-29-31-50(32-30-49)55-36-39-61-58(42-55)37-40-62-64(61)68-65(66-62)52-18-8-3-9-19-52/h1-22,25-44H,23-24H2
InChIKeyXVEAHBWZPJBNAR-UHFFFAOYSA-N
MW871.10 g/mol
LogP17.72
Rot. Bonds11

About 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine

6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 171410280) has the molecular formula C65H46N2O and a molecular weight of 871.10 g/mol. Its IUPAC name is 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID171410280
Molecular FormulaC65H46N2O
Molecular Weight871.10 g/mol
Exact Mass870.36
IUPAC Name6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(CCc2ccccc2N(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)c2ccc3cc(-c4ccc(-c5ccc6c(ccc7nc(-c8ccccc8)oc76)c5)cc4)ccc3c2)cc1
InChIInChI=1S/C65H46N2O/c1-4-13-45(14-5-1)23-24-51-17-10-11-22-63(51)67(59-21-12-20-53(43-59)48-27-25-47(26-28-48)46-15-6-2-7-16-46)60-38-35-56-41-54(33-34-57(56)44-60)49-29-31-50(32-30-49)55-36-39-61-58(42-55)37-40-62-64(61)68-65(66-62)52-18-8-3-9-19-52/h1-22,25-44H,23-24H2
InChIKeyXVEAHBWZPJBNAR-UHFFFAOYSA-N
XLogP17.72
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.10
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 171410345
N-(3-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631307
N-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine
CID 170424966
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 176785714
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine
CID 171410312
N-(4-naphthalen-1-yl-3-phenylphenyl)-3-phenyl-4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)aniline
CID 171410300
5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(3-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631654
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine (CID 171410280) is 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(CCc2ccccc2N(c2cccc(-c3ccc(-c4ccccc4)cc3)c2)c2ccc3cc(-c4ccc(-c5ccc6c(ccc7nc(-c8ccccc8)oc76)c5)cc4)ccc3c2)cc1.
What is the InChIKey of 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is XVEAHBWZPJBNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2O/c1-4-13-45(14-5-1)23-24-51-17-10-11-22-63(51)67(59-21-12-20-53(43-59)48-27-25-47(26-28-48)46-15-6-2-7-16-46)60-38-35-56-41-54(33-34-57(56)44-60)49-29-31-50(32-30-49)55-36-39-61-58(42-55)37-40-62-64(61)68-65(66-62)52-18-8-3-9-19-52/h1-22,25-44H,23-24H2.
What are the key properties of 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine?
6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 871.10 g/mol, XLogP of 17.72, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylbenzo[g][1,3]benzoxazol-7-yl)phenyl]-N-[2-(2-phenylethyl)phenyl]-N-[3-(4-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 171410280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).