ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene

C65H83N — CID 142315651

IUPACethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene
SMILESC=C.C=C(/C=C\C=C/N(Cc1ccccc1C)c1ccc2ccccc2c1)CC1=C(C)C=CCC1.C=C/C(=C\C)C1=CC=C(c2cc(C)cc(-c3ccccc3)c2)C1.CC.CC.CC.CC
InChIInChI=1S/C32H33N.C23H22.4C2H6.C2H4/c1-25(22-29-16-6-4-13-26(29)2)12-10-11-21-33(24-31-18-7-5-14-27(31)3)32-20-19-28-15-8-9-17-30(28)23-32;1-4-18(5-2)20-11-12-21(15-20)23-14-17(3)13-22(16-23)19-9-7-6-8-10-19;5*1-2/h4-5,7-15,17-21,23H,1,6,16,22,24H2,2-3H3;4-14,16H,1,15H2,2-3H3;4*1-2H3;1-2H2/b12-10-,21-11-;18-5+;;;;;
InChIKeyJDOSOQDGEUMRGU-JPVQAQMMSA-N
MW878.39 g/mol
LogP20.25
Rot. Bonds12

About ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene

ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene (PubChem CID 142315651) has the molecular formula C65H83N and a molecular weight of 878.39 g/mol. Its IUPAC name is ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene.

Molecular Properties

Compound Nameethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene
PubChem CID142315651
Molecular FormulaC65H83N
Molecular Weight878.39 g/mol
Exact Mass877.65
IUPAC Nameethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene
SMILESC=C.C=C(/C=C\C=C/N(Cc1ccccc1C)c1ccc2ccccc2c1)CC1=C(C)C=CCC1.C=C/C(=C\C)C1=CC=C(c2cc(C)cc(-c3ccccc3)c2)C1.CC.CC.CC.CC
InChIInChI=1S/C32H33N.C23H22.4C2H6.C2H4/c1-25(22-29-16-6-4-13-26(29)2)12-10-11-21-33(24-31-18-7-5-14-27(31)3)32-20-19-28-15-8-9-17-30(28)23-32;1-4-18(5-2)20-11-12-21(15-20)23-14-17(3)13-22(16-23)19-9-7-6-8-10-19;5*1-2/h4-5,7-15,17-21,23H,1,6,16,22,24H2,2-3H3;4-14,16H,1,15H2,2-3H3;4*1-2H3;1-2H2/b12-10-,21-11-;18-5+;;;;;
InChIKeyJDOSOQDGEUMRGU-JPVQAQMMSA-N
XLogP20.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.39
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene with MolForge

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Related Compounds

N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine
CID 142315652
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-[2-[4-(2-methylphenyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-4-phenylaniline
CID 134256907
N-[4-[3-ethanimidoyl-5-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]phenyl]-2-methyl-N-phenylaniline;methanimine;1-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)benzene;1,4-xylene
CID 142961473
1-N-(3,5-diphenylphenyl)-1-N-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074340
9-[(3Z,5E)-4-[5-[4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]cyclopenta-1,3-dien-1-yl]-1-methyl-7-(4-phenylphenyl)naphthalen-2-yl]-5-methyl-6-(2-prop-2-ynylphenyl)hexa-1,3,5-trien-2-yl]-1,2-dihydrophenanthrene
CID 144839307
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]phenyl]-4-phenanthren-2-ylaniline;ethane;ethene;(3Z)-hexa-1,3,5-trien-2-ol;prop-1-ene
CID 145242742
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 162048373
N-[(3Z,5Z,7Z)-9-[4-(N-cyclohexa-2,4-dien-1-yl-4-phenylanilino)cyclohexa-1,3-dien-1-yl]-6-methylidene-5-(naphthalen-2-ylmethylidene)deca-1,3,7,9-tetraen-2-yl]-N-[(1E,3Z)-hexa-1,3,5-trienyl]-4-phenylaniline
CID 166778206
butane;6-[(2E,4E)-5-[10-[(2E,4Z,8Z,10Z)-6,12-dimethyl-7-methylidenetetradeca-2,4,8,10-tetraen-3-yl]-2-naphthalen-2-yl-6-phenylanthracen-9-yl]hepta-2,4,6-trien-2-yl]-1-methyl-2H-pyridine;ethane;ethene
CID 143516194
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene
CID 143691822

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene?
The IUPAC name of ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene (CID 142315651) is ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene.
What is the SMILES notation for ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene?
The canonical SMILES for ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene is C=C.C=C(/C=C\C=C/N(Cc1ccccc1C)c1ccc2ccccc2c1)CC1=C(C)C=CCC1.C=C/C(=C\C)C1=CC=C(c2cc(C)cc(-c3ccccc3)c2)C1.CC.CC.CC.CC.
What is the InChIKey of ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene?
The InChIKey is JDOSOQDGEUMRGU-JPVQAQMMSA-N. The full InChI is InChI=1S/C32H33N.C23H22.4C2H6.C2H4/c1-25(22-29-16-6-4-13-26(29)2)12-10-11-21-33(24-31-18-7-5-14-27(31)3)32-20-19-28-15-8-9-17-30(28)23-32;1-4-18(5-2)20-11-12-21(15-20)23-14-17(3)13-22(16-23)19-9-7-6-8-10-19;5*1-2/h4-5,7-15,17-21,23H,1,6,16,22,24H2,2-3H3;4-14,16H,1,15H2,2-3H3;4*1-2H3;1-2H2/b12-10-,21-11-;18-5+;;;;;.
What are the key properties of ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene?
ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene has a molecular weight of 878.39 g/mol, XLogP of 20.25, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-[(1Z,3Z)-5-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hexa-1,3,5-trienyl]-N-[(2-methylphenyl)methyl]naphthalen-2-amine;1-methyl-3-[4-[(3E)-penta-1,3-dien-3-yl]cyclopenta-1,3-dien-1-yl]-5-phenylbenzene is sourced from PubChem (CID 142315651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).