3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene

C28H26 — CID 145465455

IUPAC3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene
SMILESC=CC1=CCC(C)(c2ccc(-c3cc(C(=C)C)c4ccccc4c3)cc2)C=C1
InChIInChI=1S/C28H26/c1-5-21-14-16-28(4,17-15-21)25-12-10-22(11-13-25)24-18-23-8-6-7-9-26(23)27(19-24)20(2)3/h5-16,18-19H,1-2,17H2,3-4H3
InChIKeyIXDBAIBBWAPOIA-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.87
Rot. Bonds4

About 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene

3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene (PubChem CID 145465455) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene.

Molecular Properties

Compound Name3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene
PubChem CID145465455
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene
SMILESC=CC1=CCC(C)(c2ccc(-c3cc(C(=C)C)c4ccccc4c3)cc2)C=C1
InChIInChI=1S/C28H26/c1-5-21-14-16-28(4,17-15-21)25-12-10-22(11-13-25)24-18-23-8-6-7-9-26(23)27(19-24)20(2)3/h5-16,18-19H,1-2,17H2,3-4H3
InChIKeyIXDBAIBBWAPOIA-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-methyl-4-[3-[(3E)-4-naphthalen-1-ylpenta-1,3-dien-2-yl]phenyl]cyclohexa-1,5-dien-1-yl]pyrene
CID 143388645
3-[4-[9-[4-(4-hydroxynaphthalen-2-yl)phenyl]fluoren-9-yl]phenyl]naphthalen-1-ol
CID 69231580
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 154955110
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 146384821
7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
CID 144939296
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
3-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 3348527
2-(1-methyl-4-triphenylen-2-ylcyclohexa-2,4-dien-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 134320822
4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
CID 176568889

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene?
The IUPAC name of 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene (CID 145465455) is 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene.
What is the SMILES notation for 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene?
The canonical SMILES for 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene is C=CC1=CCC(C)(c2ccc(-c3cc(C(=C)C)c4ccccc4c3)cc2)C=C1.
What is the InChIKey of 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene?
The InChIKey is IXDBAIBBWAPOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-5-21-14-16-28(4,17-15-21)25-12-10-22(11-13-25)24-18-23-8-6-7-9-26(23)27(19-24)20(2)3/h5-16,18-19H,1-2,17H2,3-4H3.
What are the key properties of 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene?
3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene has a molecular weight of 362.52 g/mol, XLogP of 7.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethenyl-1-methylcyclohexa-2,4-dien-1-yl)phenyl]-1-prop-1-en-2-ylnaphthalene is sourced from PubChem (CID 145465455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).