1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene

C29H30 — CID 157132628

IUPAC1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
SMILESCC1=CC(C(c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)C=C1C
InChIInChI=1S/C29H30/c1-20-9-6-12-25(15-20)29(26-13-7-10-21(2)16-26,27-14-8-11-22(3)17-27)28-18-23(4)24(5)19-28/h6-19,28H,1-5H3
InChIKeyVEZZCNHBGPEXDG-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.47
Rot. Bonds4

About 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene

1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene (PubChem CID 157132628) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
PubChem CID157132628
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene
SMILESCC1=CC(C(c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)C=C1C
InChIInChI=1S/C29H30/c1-20-9-6-12-25(15-20)29(26-13-7-10-21(2)16-26,27-14-8-11-22(3)17-27)28-18-23(4)24(5)19-28/h6-19,28H,1-5H3
InChIKeyVEZZCNHBGPEXDG-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-diphenylmethyl]benzene
CID 141345973
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
[[2-[bis(3-methylphenyl)-phosphanylmethyl]cyclobutyl]-bis(3-methylphenyl)methyl]phosphane
CID 19367737
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
1-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-3-methylbenzene
CID 159237660
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291
[dihydroxy-(3-methylphenyl)methyl]sulfanyl-(3-methylphenyl)methanediol
CID 150288864
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene?
The IUPAC name of 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene (CID 157132628) is 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene.
What is the SMILES notation for 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene?
The canonical SMILES for 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene is CC1=CC(C(c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)C=C1C.
What is the InChIKey of 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene?
The InChIKey is VEZZCNHBGPEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-20-9-6-12-25(15-20)29(26-13-7-10-21(2)16-26,27-14-8-11-22(3)17-27)28-18-23(4)24(5)19-28/h6-19,28H,1-5H3.
What are the key properties of 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene?
1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene has a molecular weight of 378.56 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)-bis(3-methylphenyl)methyl]-3-methylbenzene is sourced from PubChem (CID 157132628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).