4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline

C45H30N2O — CID 176785431

IUPAC4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4nc(-c5cccc6ccccc56)oc34)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-2-14-37(15-3-1)47(38-26-22-32(23-27-38)36-21-20-31-10-4-5-12-35(31)30-36)39-28-24-34(25-29-39)41-17-9-19-43-44(41)48-45(46-43)42-18-8-13-33-11-6-7-16-40(33)42/h1-30H
InChIKeyHNTHSMYYVLMBAT-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.60
Rot. Bonds6

About 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline

4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline (PubChem CID 176785431) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline
PubChem CID176785431
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4nc(-c5cccc6ccccc56)oc34)cc2)cc1
InChIInChI=1S/C45H30N2O/c1-2-14-37(15-3-1)47(38-26-22-32(23-27-38)36-21-20-31-10-4-5-12-35(31)30-36)39-28-24-34(25-29-39)41-17-9-19-43-44(41)48-45(46-43)42-18-8-13-33-11-6-7-16-40(33)42/h1-30H
InChIKeyHNTHSMYYVLMBAT-UHFFFAOYSA-N
XLogP12.60
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 176785622
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-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-(4-naphthalen-2-ylphenyl)-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112892
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline?
The IUPAC name of 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline (CID 176785431) is 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4nc(-c5cccc6ccccc56)oc34)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline?
The InChIKey is HNTHSMYYVLMBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-2-14-37(15-3-1)47(38-26-22-32(23-27-38)36-21-20-31-10-4-5-12-35(31)30-36)39-28-24-34(25-29-39)41-17-9-19-43-44(41)48-45(46-43)42-18-8-13-33-11-6-7-16-40(33)42/h1-30H.
What are the key properties of 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline?
4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline has a molecular weight of 614.75 g/mol, XLogP of 12.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 176785431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).