1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene

C29H30 — CID 141345883

IUPAC1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(c2cc(C)cc(C)c2)C2C=CC=C2Cc2ccccc2)c1
InChIInChI=1S/C29H30/c1-20-13-21(2)16-26(15-20)29(27-17-22(3)14-23(4)18-27)28-12-8-11-25(28)19-24-9-6-5-7-10-24/h5-18,28-29H,19H2,1-4H3
InChIKeyPUAHMFWXWBYTNC-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.41
Rot. Bonds5

About 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene

1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene (PubChem CID 141345883) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
PubChem CID141345883
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(C(c2cc(C)cc(C)c2)C2C=CC=C2Cc2ccccc2)c1
InChIInChI=1S/C29H30/c1-20-13-21(2)16-26(15-20)29(27-17-22(3)14-23(4)18-27)28-12-8-11-25(28)19-24-9-6-5-7-10-24/h5-18,28-29H,19H2,1-4H3
InChIKeyPUAHMFWXWBYTNC-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
CID 141345910
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
1-methyl-3-[(3-methylphenyl)-(2-propylcyclopenta-2,4-dien-1-yl)methyl]benzene
CID 158612198
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
3-(3,5-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 65430220
(S)-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]-phenylmethanol
CID 100992874
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
2-benzyl-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 174271092
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391

Frequently Asked Questions

What is the IUPAC name of 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene (CID 141345883) is 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene is Cc1cc(C)cc(C(c2cc(C)cc(C)c2)C2C=CC=C2Cc2ccccc2)c1.
What is the InChIKey of 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene?
The InChIKey is PUAHMFWXWBYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-20-13-21(2)16-26(15-20)29(27-17-22(3)14-23(4)18-27)28-12-8-11-25(28)19-24-9-6-5-7-10-24/h5-18,28-29H,19H2,1-4H3.
What are the key properties of 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene?
1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene has a molecular weight of 378.56 g/mol, XLogP of 7.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-benzylcyclopenta-2,4-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 141345883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).