1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene

C30H28 — CID 175015576

IUPAC1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene
SMILESC=CCC1(CC=C)CC=CC=C1c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H28/c1-3-21-30(22-4-2)23-12-11-20-28(30)27-19-13-18-26(24-14-7-5-8-15-24)29(27)25-16-9-6-10-17-25/h3-20H,1-2,21-23H2
InChIKeyVCCXLEGBMBBIOE-UHFFFAOYSA-N
MW388.55 g/mol
LogP8.50
Rot. Bonds7

About 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene

1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene (PubChem CID 175015576) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene.

Molecular Properties

Compound Name1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene
PubChem CID175015576
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene
SMILESC=CCC1(CC=C)CC=CC=C1c1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H28/c1-3-21-30(22-4-2)23-12-11-20-28(30)27-19-13-18-26(24-14-7-5-8-15-24)29(27)25-16-9-6-10-17-25/h3-20H,1-2,21-23H2
InChIKeyVCCXLEGBMBBIOE-UHFFFAOYSA-N
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,6-diisocyanato-1-phenylcyclohexa-1,3-diene
CID 87061261
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
2-(2-hydroxyphenyl)-3,3-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
CID 175120338
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
1-iodo-2-phenylcyclohexa-2,4-dien-1-amine
CID 175287153
3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
CID 141425095
2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 175574219
1,2,3-tris(4-ethenylphenyl)benzene
CID 154053101
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
1,2-diphenylcyclohexa-2,4-dien-1-amine
CID 141027674
1-ethenyl-2,3-diphenyl-4-(3-phenylphenyl)benzene
CID 91153178
[1-amino-2-(3-aminophenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 68786620

Frequently Asked Questions

What is the IUPAC name of 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene?
The IUPAC name of 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene (CID 175015576) is 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene.
What is the SMILES notation for 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene?
The canonical SMILES for 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene is C=CCC1(CC=C)CC=CC=C1c1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene?
The InChIKey is VCCXLEGBMBBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-3-21-30(22-4-2)23-12-11-20-28(30)27-19-13-18-26(24-14-7-5-8-15-24)29(27)25-16-9-6-10-17-25/h3-20H,1-2,21-23H2.
What are the key properties of 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene?
1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene has a molecular weight of 388.55 g/mol, XLogP of 8.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,6-bis(prop-2-enyl)cyclohexa-1,3-dien-1-yl]-2,3-diphenylbenzene is sourced from PubChem (CID 175015576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).