(2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene

C40H35- — CID 154076238

IUPAC(2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene
SMILESc1ccc(Cc2c(Cc3ccccc3)c(Cc3ccccc3)[c-](Cc3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C40H35/c1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33/h1-25H,26-30H2/q-1
InChIKeyVPHKPEMCYHAREI-UHFFFAOYSA-N
MW515.72 g/mol
LogP9.36
Rot. Bonds10

About (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene

(2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene (PubChem CID 154076238) has the molecular formula C40H35- and a molecular weight of 515.72 g/mol. Its IUPAC name is (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene.

Molecular Properties

Compound Name(2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene
PubChem CID154076238
Molecular FormulaC40H35-
Molecular Weight515.72 g/mol
Exact Mass515.27
IUPAC Name(2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene
SMILESc1ccc(Cc2c(Cc3ccccc3)c(Cc3ccccc3)[c-](Cc3ccccc3)c2Cc2ccccc2)cc1
InChIInChI=1S/C40H35/c1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33/h1-25H,26-30H2/q-1
InChIKeyVPHKPEMCYHAREI-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.72
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

phenyl(113C)methylbenzene
CID 11194569
benzylbenzene;ethane;methanamine
CID 54117827
lithium 9-benzylfluoren-9-ide
CID 15151325
potassium;benzylbenzene;hydride
CID 173011788
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
benzylbenzene;methoxymethane
CID 161110966
1,4-bis(4-benzylphenyl)benzene
CID 58251041
9-benzylxanthen-10-ium
CID 12557009
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene?
The IUPAC name of (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene (CID 154076238) is (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene.
What is the SMILES notation for (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene?
The canonical SMILES for (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene is c1ccc(Cc2c(Cc3ccccc3)c(Cc3ccccc3)[c-](Cc3ccccc3)c2Cc2ccccc2)cc1.
What is the InChIKey of (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene?
The InChIKey is VPHKPEMCYHAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35/c1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33/h1-25H,26-30H2/q-1.
What are the key properties of (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene?
(2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene has a molecular weight of 515.72 g/mol, XLogP of 9.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene is sourced from PubChem (CID 154076238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).