ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C38H37N — CID 145390494

IUPACethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC/C=C\C(=C/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.CC
InChIInChI=1S/C36H31N.C2H6/c1-3-11-28(4-2)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-7-5-8-13-29)36-26-20-33(21-27-36)30-14-9-6-10-15-30;1-2/h3-27H,1-2H3;1-2H3/b11-3-,28-4+;
InChIKeyJBBYBANRNOQBQU-JGPSXSPJSA-N
MW507.72 g/mol
LogP11.50
Rot. Bonds7

About ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 145390494) has the molecular formula C38H37N and a molecular weight of 507.72 g/mol. Its IUPAC name is ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Nameethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID145390494
Molecular FormulaC38H37N
Molecular Weight507.72 g/mol
Exact Mass507.29
IUPAC Nameethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC/C=C\C(=C/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.CC
InChIInChI=1S/C36H31N.C2H6/c1-3-11-28(4-2)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-7-5-8-13-29)36-26-20-33(21-27-36)30-14-9-6-10-15-30;1-2/h3-27H,1-2H3;1-2H3/b11-3-,28-4+;
InChIKeyJBBYBANRNOQBQU-JGPSXSPJSA-N
XLogP11.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.72
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485
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
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
ethane;3-[(2E)-2-ethenylpenta-2,4-dienoxy]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 145470212
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
CID 123475710
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
CID 126711831
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 145390494) is ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C/C=C\C(=C/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.CC.
What is the InChIKey of ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is JBBYBANRNOQBQU-JGPSXSPJSA-N. The full InChI is InChI=1S/C36H31N.C2H6/c1-3-11-28(4-2)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-7-5-8-13-29)36-26-20-33(21-27-36)30-14-9-6-10-15-30;1-2/h3-27H,1-2H3;1-2H3/b11-3-,28-4+;.
What are the key properties of ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 507.72 g/mol, XLogP of 11.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145390494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).