1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene

C23H17Cl — CID 102155434

IUPAC1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene
SMILESClc1ccc(C2=C(C=C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C23H17Cl/c24-21-13-11-19(12-14-21)23-16-20(23)15-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2
InChIKeyKLLZVCMQFPOWFT-UHFFFAOYSA-N
MW328.84 g/mol
LogP6.63
Rot. Bonds4

About 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene

1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene (PubChem CID 102155434) has the molecular formula C23H17Cl and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene
PubChem CID102155434
Molecular FormulaC23H17Cl
Molecular Weight328.84 g/mol
Exact Mass328.10
IUPAC Name1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene
SMILESClc1ccc(C2=C(C=C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C23H17Cl/c24-21-13-11-19(12-14-21)23-16-20(23)15-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2
InChIKeyKLLZVCMQFPOWFT-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 20830984
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
CID 22932221
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1-chloro-4-(3,3-diphenylprop-2-enyl)benzene
CID 174797148
2-(2,2-diphenylethenyl)-3-methyl-1H-indene
CID 10542850
[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-diphenylphosphane
CID 139204693
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
CID 10801751
CID 10801751
1-(2,2-diphenylethenyl)-4-[2-[4-[4-[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59965271
(Z)-3-[4-[2-(4-chlorophenyl)cyclohexen-1-yl]phenyl]-1,3-diphenylprop-1-en-1-amine
CID 174278364

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene?
The IUPAC name of 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene (CID 102155434) is 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene is Clc1ccc(C2=C(C=C(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene?
The InChIKey is KLLZVCMQFPOWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl/c24-21-13-11-19(12-14-21)23-16-20(23)15-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2.
What are the key properties of 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene?
1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene has a molecular weight of 328.84 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(2,2-diphenylethenyl)cyclopropen-1-yl]benzene is sourced from PubChem (CID 102155434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).