1,5-dibenzhydrylidenepentalene

C34H24 — CID 101439487

IUPAC1,5-dibenzhydrylidenepentalene
SMILESC1=CC(=C(c2ccccc2)c2ccccc2)C2=CC(=C(c3ccccc3)c3ccccc3)C=C12
InChIInChI=1S/C34H24/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)30-23-29-21-22-31(32(29)24-30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyKXJVSGMDCNRLDF-UHFFFAOYSA-N
MW432.57 g/mol
LogP8.43
Rot. Bonds4

About 1,5-dibenzhydrylidenepentalene

1,5-dibenzhydrylidenepentalene (PubChem CID 101439487) has the molecular formula C34H24 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1,5-dibenzhydrylidenepentalene.

Molecular Properties

Compound Name1,5-dibenzhydrylidenepentalene
PubChem CID101439487
Molecular FormulaC34H24
Molecular Weight432.57 g/mol
Exact Mass432.19
IUPAC Name1,5-dibenzhydrylidenepentalene
SMILESC1=CC(=C(c2ccccc2)c2ccccc2)C2=CC(=C(c3ccccc3)c3ccccc3)C=C12
InChIInChI=1S/C34H24/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)30-23-29-21-22-31(32(29)24-30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKeyKXJVSGMDCNRLDF-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
CID 22327814
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531
4-benzhydrylidene-2,6-diphenylthiopyran
CID 13110816
6-benzhydrylidenecyclohexa-2,4-dien-1-imine
CID 135032177
2-benzhydrylidene-8-hydroxynaphthalen-1-one
CID 5378994
[4-[(4-aminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium
CID 91376355
(4E)-4-[(4-hydroxyphenyl)-phenylmethylidene]naphthalen-1-one
CID 10663747
4-[(4-methyliminocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]aniline
CID 70648511
4-benzhydrylidene-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-2,5-diene
CID 117069727
4-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-phenylmethyl]-2,6-dimethylphenolate
CID 102505882
[(3-ethylcyclopenta-2,4-dien-1-ylidene)-phenylmethyl]benzene;prop-1-ene
CID 143525147
CID 10801751
CID 10801751

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzhydrylidenepentalene?
The IUPAC name of 1,5-dibenzhydrylidenepentalene (CID 101439487) is 1,5-dibenzhydrylidenepentalene.
What is the SMILES notation for 1,5-dibenzhydrylidenepentalene?
The canonical SMILES for 1,5-dibenzhydrylidenepentalene is C1=CC(=C(c2ccccc2)c2ccccc2)C2=CC(=C(c3ccccc3)c3ccccc3)C=C12.
What is the InChIKey of 1,5-dibenzhydrylidenepentalene?
The InChIKey is KXJVSGMDCNRLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24/c1-5-13-25(14-6-1)33(26-15-7-2-8-16-26)30-23-29-21-22-31(32(29)24-30)34(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H.
What are the key properties of 1,5-dibenzhydrylidenepentalene?
1,5-dibenzhydrylidenepentalene has a molecular weight of 432.57 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzhydrylidenepentalene is sourced from PubChem (CID 101439487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).