1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene

C40H34 — CID 143742639

IUPAC1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene
SMILESC/C=C\C(=C/C)c1cc(C)c(-c2ccccc2-c2c(C)cc(-c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C40H34/c1-5-16-29(6-2)37-25-27(3)39(33-21-12-10-19-31(33)37)35-23-14-15-24-36(35)40-28(4)26-38(30-17-8-7-9-18-30)32-20-11-13-22-34(32)40/h5-26H,1-4H3/b16-5-,29-6+
InChIKeyQLPZEWGHPHLGRH-SCSAURLPSA-N
MW514.71 g/mol
LogP11.59
Rot. Bonds5

About 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene

1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene (PubChem CID 143742639) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene.

Molecular Properties

Compound Name1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene
PubChem CID143742639
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene
SMILESC/C=C\C(=C/C)c1cc(C)c(-c2ccccc2-c2c(C)cc(-c3ccccc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C40H34/c1-5-16-29(6-2)37-25-27(3)39(33-21-12-10-19-31(33)37)35-23-14-15-24-36(35)40-28(4)26-38(30-17-8-7-9-18-30)32-20-11-13-22-34(32)40/h5-26H,1-4H3/b16-5-,29-6+
InChIKeyQLPZEWGHPHLGRH-SCSAURLPSA-N
XLogP11.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 511.59
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

2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
CID 174100337
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
CID 174013774
7,32-bis(2-phenylphenyl)-14,25-bis(2,4,6-trimethylphenyl)undecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene
CID 59090312
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
CID 145174551
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene?
The IUPAC name of 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene (CID 143742639) is 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene.
What is the SMILES notation for 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene?
The canonical SMILES for 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene is C/C=C\C(=C/C)c1cc(C)c(-c2ccccc2-c2c(C)cc(-c3ccccc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene?
The InChIKey is QLPZEWGHPHLGRH-SCSAURLPSA-N. The full InChI is InChI=1S/C40H34/c1-5-16-29(6-2)37-25-27(3)39(33-21-12-10-19-31(33)37)35-23-14-15-24-36(35)40-28(4)26-38(30-17-8-7-9-18-30)32-20-11-13-22-34(32)40/h5-26H,1-4H3/b16-5-,29-6+.
What are the key properties of 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene?
1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene has a molecular weight of 514.71 g/mol, XLogP of 11.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylnaphthalen-1-yl]phenyl]-2-methyl-4-phenylnaphthalene is sourced from PubChem (CID 143742639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).