4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene

C22H16 — CID 101224141

IUPAC4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene
SMILESc1ccc(C(=C2c3cc4c(cc32)CC4)c2ccccc2)cc1
InChIInChI=1S/C22H16/c1-3-7-15(8-4-1)21(16-9-5-2-6-10-16)22-19-13-17-11-12-18(17)14-20(19)22/h1-10,13-14H,11-12H2
InChIKeyHBPAWMMMLKTYTG-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.11
Rot. Bonds2

About 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene

4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene (PubChem CID 101224141) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene.

Molecular Properties

Compound Name4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene
PubChem CID101224141
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene
SMILESc1ccc(C(=C2c3cc4c(cc32)CC4)c2ccccc2)cc1
InChIInChI=1S/C22H16/c1-3-7-15(8-4-1)21(16-9-5-2-6-10-16)22-19-13-17-11-12-18(17)14-20(19)22/h1-10,13-14H,11-12H2
InChIKeyHBPAWMMMLKTYTG-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1,2-dimethyl-4,5-bis(1-phenylethyl)-
CID 103494
Benzene, 4-(1,3-diphenylbutyl)-1,2-dimethyl-
CID 108370
Methylbis(phenylmethyl)benzene
CID 3034397
Benzo(B)biphenylene
CID 3333137
Benzene, 1,3-bis(1-(methylphenyl)ethenyl)-
CID 3086614
1,2-Xylene; 1,3-xylene; 1,4-xylene
CID 6850715
10,11-Dihydro-5-(phenylmethylene)-5H-dibenzo[a,d]cycloheptene
CID 44409475
6-Phenyl-1,2,3,4-tetrahydronaphthalene
CID 15556970
(2.2.2)(1,2,4)Cyclophane
CID 143532
2,2''-Dimethyl-p-terphenyl
CID 104409
4,4''-Dimethyl-(1,1',3',1'')terphenyl
CID 4248146
2,9-Dimethyl-5,6,11,12-tetrahydro-dibenzo(A,E)cyclooctene
CID 4610239

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene?
The IUPAC name of 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene (CID 101224141) is 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene.
What is the SMILES notation for 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene?
The canonical SMILES for 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene is c1ccc(C(=C2c3cc4c(cc32)CC4)c2ccccc2)cc1.
What is the InChIKey of 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene?
The InChIKey is HBPAWMMMLKTYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-3-7-15(8-4-1)21(16-9-5-2-6-10-16)22-19-13-17-11-12-18(17)14-20(19)22/h1-10,13-14H,11-12H2.
What are the key properties of 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene?
4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene has a molecular weight of 280.37 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidenetricyclo[5.2.0.03,5]nona-1,3(5),6-triene is sourced from PubChem (CID 101224141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).