N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene

C68H67N — CID 144914532

IUPACN-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
SMILESC/C=C\C(=C/C)c1ccc(C)cc1.CC.Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C46H37N.C13H16.C7H8.C2H6/c1-34-13-19-37(20-14-34)38-21-23-39(24-22-38)40-25-31-45(32-26-40)47(43-27-15-35(2)16-28-43)44-29-17-36(18-30-44)33-46(41-9-5-3-6-10-41)42-11-7-4-8-12-42;1-4-6-12(5-2)13-9-7-11(3)8-10-13;1-7-5-3-2-4-6-7;1-2/h3-33H,1-2H3;4-10H,1-3H3;2-6H,1H3;1-2H3/b;6-4-,12-5+;;
InChIKeyMKOCDRIDZYHJAI-BOTVWRSXSA-N
MW898.29 g/mol
LogP19.69
Rot. Bonds10

About N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene

N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene (PubChem CID 144914532) has the molecular formula C68H67N and a molecular weight of 898.29 g/mol. Its IUPAC name is N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene.

Molecular Properties

Compound NameN-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
PubChem CID144914532
Molecular FormulaC68H67N
Molecular Weight898.29 g/mol
Exact Mass897.53
IUPAC NameN-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
SMILESC/C=C\C(=C/C)c1ccc(C)cc1.CC.Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C46H37N.C13H16.C7H8.C2H6/c1-34-13-19-37(20-14-34)38-21-23-39(24-22-38)40-25-31-45(32-26-40)47(43-27-15-35(2)16-28-43)44-29-17-36(18-30-44)33-46(41-9-5-3-6-10-41)42-11-7-4-8-12-42;1-4-6-12(5-2)13-9-7-11(3)8-10-13;1-7-5-3-2-4-6-7;1-2/h3-33H,1-2H3;4-10H,1-3H3;2-6H,1H3;1-2H3/b;6-4-,12-5+;;
InChIKeyMKOCDRIDZYHJAI-BOTVWRSXSA-N
XLogP19.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.29
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene with MolForge

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
4-(2,2-diphenylethenyl)-N,N-diphenylaniline;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylaniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-(2-phenylethenyl)aniline;ethane
CID 158855381
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene?
The IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene (CID 144914532) is N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene.
What is the SMILES notation for N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene?
The canonical SMILES for N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene is C/C=C\C(=C/C)c1ccc(C)cc1.CC.Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C=C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccccc1.
What is the InChIKey of N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene?
The InChIKey is MKOCDRIDZYHJAI-BOTVWRSXSA-N. The full InChI is InChI=1S/C46H37N.C13H16.C7H8.C2H6/c1-34-13-19-37(20-14-34)38-21-23-39(24-22-38)40-25-31-45(32-26-40)47(43-27-15-35(2)16-28-43)44-29-17-36(18-30-44)33-46(41-9-5-3-6-10-41)42-11-7-4-8-12-42;1-4-6-12(5-2)13-9-7-11(3)8-10-13;1-7-5-3-2-4-6-7;1-2/h3-33H,1-2H3;4-10H,1-3H3;2-6H,1H3;1-2H3/b;6-4-,12-5+;;.
What are the key properties of N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene?
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene has a molecular weight of 898.29 g/mol, XLogP of 19.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene is sourced from PubChem (CID 144914532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).