N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine

C48H34N2O — CID 171410460

IUPACN-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine
SMILESc1ccc(Cc2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cccc4ccc5nc(-c6ccccc6)oc5c34)cc2)cc1
InChIInChI=1S/C48H34N2O/c1-5-14-34(15-6-1)32-35-24-27-40(28-25-35)50(41-29-30-42(36-16-7-2-8-17-36)43(33-41)37-18-9-3-10-19-37)45-23-13-22-38-26-31-44-47(46(38)45)51-48(49-44)39-20-11-4-12-21-39/h1-31,33H,32H2
InChIKeyRWJFVMNBKIROEG-UHFFFAOYSA-N
MW654.81 g/mol
LogP13.04
Rot. Bonds8

About N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine

N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine (PubChem CID 171410460) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine
PubChem CID171410460
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC NameN-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine
SMILESc1ccc(Cc2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cccc4ccc5nc(-c6ccccc6)oc5c34)cc2)cc1
InChIInChI=1S/C48H34N2O/c1-5-14-34(15-6-1)32-35-24-27-40(28-25-35)50(41-29-30-42(36-16-7-2-8-17-36)43(33-41)37-18-9-3-10-19-37)45-23-13-22-38-26-31-44-47(46(38)45)51-48(49-44)39-20-11-4-12-21-39/h1-31,33H,32H2
InChIKeyRWJFVMNBKIROEG-UHFFFAOYSA-N
XLogP13.04
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037
N-dibenzofuran-1-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124429
N-(3-naphthalen-1-yl-4-phenylphenyl)-N,2-bis(4-phenylphenyl)benzo[g][1,3]benzoxazol-5-amine
CID 170425008
N-phenyl-N-[4-(5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327
N-(4-dibenzofuran-3-yl-3-phenylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177119511
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-8-yl)benzene-1,3-diamine
CID 171416971
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
CID 167127715
N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 155474138
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-amine
CID 167123003

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine?
The IUPAC name of N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine (CID 171410460) is N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine.
What is the SMILES notation for N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine?
The canonical SMILES for N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine is c1ccc(Cc2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cccc4ccc5nc(-c6ccccc6)oc5c34)cc2)cc1.
What is the InChIKey of N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine?
The InChIKey is RWJFVMNBKIROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-5-14-34(15-6-1)32-35-24-27-40(28-25-35)50(41-29-30-42(36-16-7-2-8-17-36)43(33-41)37-18-9-3-10-19-37)45-23-13-22-38-26-31-44-47(46(38)45)51-48(49-44)39-20-11-4-12-21-39/h1-31,33H,32H2.
What are the key properties of N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine?
N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine has a molecular weight of 654.81 g/mol, XLogP of 13.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-N-(3,4-diphenylphenyl)-2-phenylbenzo[g][1,3]benzoxazol-9-amine is sourced from PubChem (CID 171410460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).