1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene

C50H42 — CID 123950143

IUPAC1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
SMILESCC=C(C=CCC)c1cc(-c2ccccc2)cc(-c2cc(-c3ccc(C)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C50H42/c1-4-6-16-37(5-2)42-27-43(38-17-10-7-11-18-38)30-47(28-42)49-33-46(41-25-23-36(3)24-26-41)34-50(35-49)48-31-44(39-19-12-8-13-20-39)29-45(32-48)40-21-14-9-15-22-40/h5-35H,4H2,1-3H3
InChIKeyDIRCILNYYLXVAI-UHFFFAOYSA-N
MW642.89 g/mol
LogP14.37
Rot. Bonds9

About 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene

1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene (PubChem CID 123950143) has the molecular formula C50H42 and a molecular weight of 642.89 g/mol. Its IUPAC name is 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene.

Molecular Properties

Compound Name1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
PubChem CID123950143
Molecular FormulaC50H42
Molecular Weight642.89 g/mol
Exact Mass642.33
IUPAC Name1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
SMILESCC=C(C=CCC)c1cc(-c2ccccc2)cc(-c2cc(-c3ccc(C)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1
InChIInChI=1S/C50H42/c1-4-6-16-37(5-2)42-27-43(38-17-10-7-11-18-38)30-47(28-42)49-33-46(41-25-23-36(3)24-26-41)34-50(35-49)48-31-44(39-19-12-8-13-20-39)29-45(32-48)40-21-14-9-15-22-40/h5-35H,4H2,1-3H3
InChIKeyDIRCILNYYLXVAI-UHFFFAOYSA-N
XLogP14.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.89
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720
9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
CID 145174551
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
ethane;2-[(2E,4Z)-hepta-2,4-dien-3-yl]-7-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 144577717
1-nona-2,4,7-trien-3-yl-3-phenylbenzene
CID 123251128
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317
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
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene?
The IUPAC name of 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene (CID 123950143) is 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene.
What is the SMILES notation for 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene?
The canonical SMILES for 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene is CC=C(C=CCC)c1cc(-c2ccccc2)cc(-c2cc(-c3ccc(C)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)c1.
What is the InChIKey of 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene?
The InChIKey is DIRCILNYYLXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42/c1-4-6-16-37(5-2)42-27-43(38-17-10-7-11-18-38)30-47(28-42)49-33-46(41-25-23-36(3)24-26-41)34-50(35-49)48-31-44(39-19-12-8-13-20-39)29-45(32-48)40-21-14-9-15-22-40/h5-35H,4H2,1-3H3.
What are the key properties of 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene?
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene has a molecular weight of 642.89 g/mol, XLogP of 14.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene is sourced from PubChem (CID 123950143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).