(7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene

C38H24Cl4 — CID 6312790

IUPAC(7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene
SMILESClC1=C(Cl)/C(=C2\C(c3ccccc3)=CC=C(c3ccccc3)C(Cl)=C2Cl)C(c2ccccc2)=CC=C1c1ccccc1
InChIInChI=1S/C38H24Cl4/c39-35-31(27-17-9-3-10-18-27)23-21-29(25-13-5-1-6-14-25)33(37(35)41)34-30(26-15-7-2-8-16-26)22-24-32(36(40)38(34)42)28-19-11-4-12-20-28/h1-24H/b34-33+
InChIKeyAQPICIXUMJSMEF-JEIPZWNWSA-N
MW622.42 g/mol
LogP12.02
Rot. Bonds4

About (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene

(7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene (PubChem CID 6312790) has the molecular formula C38H24Cl4 and a molecular weight of 622.42 g/mol. Its IUPAC name is (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name(7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene
PubChem CID6312790
Molecular FormulaC38H24Cl4
Molecular Weight622.42 g/mol
Exact Mass620.06
IUPAC Name(7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene
SMILESClC1=C(Cl)/C(=C2\C(c3ccccc3)=CC=C(c3ccccc3)C(Cl)=C2Cl)C(c2ccccc2)=CC=C1c1ccccc1
InChIInChI=1S/C38H24Cl4/c39-35-31(27-17-9-3-10-18-27)23-21-29(25-13-5-1-6-14-25)33(37(35)41)34-30(26-15-7-2-8-16-26)22-24-32(36(40)38(34)42)28-19-11-4-12-20-28/h1-24H/b34-33+
InChIKeyAQPICIXUMJSMEF-JEIPZWNWSA-N
XLogP12.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.42
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 162098364

Frequently Asked Questions

What is the IUPAC name of (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene?
The IUPAC name of (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene (CID 6312790) is (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene.
What is the SMILES notation for (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene?
The canonical SMILES for (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene is ClC1=C(Cl)/C(=C2\C(c3ccccc3)=CC=C(c3ccccc3)C(Cl)=C2Cl)C(c2ccccc2)=CC=C1c1ccccc1.
What is the InChIKey of (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene?
The InChIKey is AQPICIXUMJSMEF-JEIPZWNWSA-N. The full InChI is InChI=1S/C38H24Cl4/c39-35-31(27-17-9-3-10-18-27)23-21-29(25-13-5-1-6-14-25)33(37(35)41)34-30(26-15-7-2-8-16-26)22-24-32(36(40)38(34)42)28-19-11-4-12-20-28/h1-24H/b34-33+.
What are the key properties of (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene?
(7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene has a molecular weight of 622.42 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-1,2-dichloro-7-(2,3-dichloro-4,7-diphenylcyclohepta-2,4,6-trien-1-ylidene)-3,6-diphenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 6312790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).