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

C53H34N2O — CID 171410345

IUPACN-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc(-c5ccc6c(ccc7nc(-c8ccc9ccccc9c8)oc76)c5)ccc4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2O/c1-2-9-35(10-3-1)37-21-26-46(27-22-37)55(51-16-8-14-38-12-6-7-15-48(38)51)47-28-23-41-31-40(18-19-43(41)34-47)42-24-29-49-44(32-42)25-30-50-52(49)56-53(54-50)45-20-17-36-11-4-5-13-39(36)33-45/h1-34H
InChIKeyMZLDWOMAUQWDSP-UHFFFAOYSA-N
MW714.87 g/mol
LogP14.91
Rot. Bonds6

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

N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 171410345) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID171410345
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC NameN-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4cc(-c5ccc6c(ccc7nc(-c8ccc9ccccc9c8)oc76)c5)ccc4c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C53H34N2O/c1-2-9-35(10-3-1)37-21-26-46(27-22-37)55(51-16-8-14-38-12-6-7-15-48(38)51)47-28-23-41-31-40(18-19-43(41)34-47)42-24-29-49-44(32-42)25-30-50-52(49)56-53(54-50)45-20-17-36-11-4-5-13-39(36)33-45/h1-34H
InChIKeyMZLDWOMAUQWDSP-UHFFFAOYSA-N
XLogP14.91
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 176785714
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
2-phenyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-7-amine
CID 170424966
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(4-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 176631252
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984
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
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
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102
N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851617

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 171410345) is N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc4cc(-c5ccc6c(ccc7nc(-c8ccc9ccccc9c8)oc76)c5)ccc4c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is MZLDWOMAUQWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-2-9-35(10-3-1)37-21-26-46(27-22-37)55(51-16-8-14-38-12-6-7-15-48(38)51)47-28-23-41-31-40(18-19-43(41)34-47)42-24-29-49-44(32-42)25-30-50-52(49)56-53(54-50)45-20-17-36-11-4-5-13-39(36)33-45/h1-34H.
What are the key properties of N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine?
N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 714.87 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-7-yl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 171410345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).