1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline

C58H62N2 — CID 145212513

IUPAC1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(Nc2ccccc2-c2ccccc2)CC(c2ccccc2)=C1.C=C(/C=C\C=C/NC)C/C=C\C=C/CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H21N.C18H14.C14H21N.C2H6/c1-3-10-19(11-4-1)21-14-9-15-22(18-21)25-24-17-8-7-16-23(24)20-12-5-2-6-13-20;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-4-5-6-7-8-11-14(2)12-9-10-13-15-3;1-2/h1-17,22,25H,18H2;1-14H;5-10,12-13,15H,2,4,11H2,1,3H3;1-2H3/b;;6-5-,8-7-,12-9-,13-10-;
InChIKeyCGLXJYLDXGIRHX-ZRGRIGKMSA-N
MW787.15 g/mol
LogP15.97
Rot. Bonds13

About 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline

1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 145212513) has the molecular formula C58H62N2 and a molecular weight of 787.15 g/mol. Its IUPAC name is 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound Name1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID145212513
Molecular FormulaC58H62N2
Molecular Weight787.15 g/mol
Exact Mass786.49
IUPAC Name1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(Nc2ccccc2-c2ccccc2)CC(c2ccccc2)=C1.C=C(/C=C\C=C/NC)C/C=C\C=C/CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H21N.C18H14.C14H21N.C2H6/c1-3-10-19(11-4-1)21-14-9-15-22(18-21)25-24-17-8-7-16-23(24)20-12-5-2-6-13-20;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-4-5-6-7-8-11-14(2)12-9-10-13-15-3;1-2/h1-17,22,25H,18H2;1-14H;5-10,12-13,15H,2,4,11H2,1,3H3;1-2H3/b;;6-5-,8-7-,12-9-,13-10-;
InChIKeyCGLXJYLDXGIRHX-ZRGRIGKMSA-N
XLogP15.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.15
LogP ≤ 515.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline with MolForge

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Related Compounds

4-N-phenyl-1-N-(5-phenylcyclohexa-2,4-dien-1-yl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 70848535
1-phenyl-4-[1-(5-phenylcyclohexa-2,4-dien-1-yl)ethenyl]benzene
CID 145232510
(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine
CID 142951331
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
2-[9-[(2Z,4Z)-hepta-2,4-dienyl]-9-phenyl-4b,8a-dihydrofluoren-4-yl]-6-(5-phenylcyclohexa-2,4-dien-1-yl)-4-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227973
2-[3-[12-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-14-azapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-10-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121355867
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenyl-6-[3-[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 145174411
12-cyclohexa-1,3-dien-1-yl-5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene;1-ethylcyclohexa-1,3-diene;5-[(3Z)-hexa-1,3,5-trien-2-yl]-3-phenylbenzo[10]annulene
CID 160843548
bicyclo[3.1.0]hexa-1(6),2,4-triene;but-1-ene
CID 23063595
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
bis(1,3-diphenylbenzene);ethane
CID 144938975

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline (CID 145212513) is 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline is C1=CC(Nc2ccccc2-c2ccccc2)CC(c2ccccc2)=C1.C=C(/C=C\C=C/NC)C/C=C\C=C/CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is CGLXJYLDXGIRHX-ZRGRIGKMSA-N. The full InChI is InChI=1S/C24H21N.C18H14.C14H21N.C2H6/c1-3-10-19(11-4-1)21-14-9-15-22(18-21)25-24-17-8-7-16-23(24)20-12-5-2-6-13-20;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-4-5-6-7-8-11-14(2)12-9-10-13-15-3;1-2/h1-17,22,25H,18H2;1-14H;5-10,12-13,15H,2,4,11H2,1,3H3;1-2H3/b;;6-5-,8-7-,12-9-,13-10-;.
What are the key properties of 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline?
1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 787.15 g/mol, XLogP of 15.97, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylbenzene;ethane;(1Z,3Z,7Z,9Z)-N-methyl-5-methylidenedodeca-1,3,7,9-tetraen-1-amine;2-phenyl-N-(5-phenylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 145212513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).