4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole

C86H63N5O5 — CID 91173603

IUPAC4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole
SMILESC(=Cc1nc2cc(-c3ccccc3)ccc2o1)c1ccccc1.C(=Cc1nc2ccccc2o1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)c(C)cc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C38H28N2O3.C27H20N2O.C21H15NO/c1-25-21-31(16-20-38-40-33-23-30(14-18-35(33)43-38)27-11-7-4-8-12-27)36(41-2)24-28(25)15-19-37-39-32-22-29(13-17-34(32)42-37)26-9-5-3-6-10-26;1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)24-18-15-21(16-19-24)17-20-27-28-25-13-7-8-14-26(25)30-27;1-3-7-16(8-4-1)11-14-21-22-19-15-18(12-13-20(19)23-21)17-9-5-2-6-10-17/h3-24H,1-2H3;1-20H;1-15H/b19-15+,20-16+;;
InChIKeyMTNIKNAMPCIMBF-IOUJDWOISA-N
MW1246.48 g/mol
LogP23.09
Rot. Bonds15

About 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole

4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole (PubChem CID 91173603) has the molecular formula C86H63N5O5 and a molecular weight of 1246.48 g/mol. Its IUPAC name is 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole
PubChem CID91173603
Molecular FormulaC86H63N5O5
Molecular Weight1246.48 g/mol
Exact Mass1245.48
IUPAC Name4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole
SMILESC(=Cc1nc2cc(-c3ccccc3)ccc2o1)c1ccccc1.C(=Cc1nc2ccccc2o1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)c(C)cc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C38H28N2O3.C27H20N2O.C21H15NO/c1-25-21-31(16-20-38-40-33-23-30(14-18-35(33)43-38)27-11-7-4-8-12-27)36(41-2)24-28(25)15-19-37-39-32-22-29(13-17-34(32)42-37)26-9-5-3-6-10-26;1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)24-18-15-21(16-19-24)17-20-27-28-25-13-7-8-14-26(25)30-27;1-3-7-16(8-4-1)11-14-21-22-19-15-18(12-13-20(19)23-21)17-9-5-2-6-10-17/h3-24H,1-2H3;1-20H;1-15H/b19-15+,20-16+;;
InChIKeyMTNIKNAMPCIMBF-IOUJDWOISA-N
XLogP23.09
TPSA116.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.48
LogP ≤ 523.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole with MolForge

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Related Compounds

Fluorescent brightener 367
CID 78769
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
methyl N-[(1S)-1-[(2S,4S)-2-[6-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491515
(2E)-3-ethyl-2-[(Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-phenyl-1,3-benzoxazole
CID 6768103
2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole
CID 111052
CID 10864994
CID 10864994
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 15991081
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-1-naphthamide
CID 15991130
methyl N-[(1S)-1-[(2S,4S)-2-[5-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491507

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole?
The IUPAC name of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole (CID 91173603) is 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole.
What is the SMILES notation for 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole?
The canonical SMILES for 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole is C(=Cc1nc2cc(-c3ccccc3)ccc2o1)c1ccccc1.C(=Cc1nc2ccccc2o1)c1ccc(N(c2ccccc2)c2ccccc2)cc1.COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)c(C)cc1/C=C/c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole?
The InChIKey is MTNIKNAMPCIMBF-IOUJDWOISA-N. The full InChI is InChI=1S/C38H28N2O3.C27H20N2O.C21H15NO/c1-25-21-31(16-20-38-40-33-23-30(14-18-35(33)43-38)27-11-7-4-8-12-27)36(41-2)24-28(25)15-19-37-39-32-22-29(13-17-34(32)42-37)26-9-5-3-6-10-26;1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)24-18-15-21(16-19-24)17-20-27-28-25-13-7-8-14-26(25)30-27;1-3-7-16(8-4-1)11-14-21-22-19-15-18(12-13-20(19)23-21)17-9-5-2-6-10-17/h3-24H,1-2H3;1-20H;1-15H/b19-15+,20-16+;;.
What are the key properties of 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole?
4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole has a molecular weight of 1246.48 g/mol, XLogP of 23.09, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-diphenylaniline;2-[(E)-2-[2-methoxy-5-methyl-4-[(E)-2-(5-phenyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]ethenyl]-5-phenyl-1,3-benzoxazole;5-phenyl-2-(2-phenylethenyl)-1,3-benzoxazole is sourced from PubChem (CID 91173603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).