6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline

C30H21Cl2N — CID 118324062

IUPAC6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3nccc(/C=C/c4ccccc4)c3c2)cc1
InChIInChI=1S/C30H21Cl2N/c31-26-13-8-23(9-14-26)30(24-10-15-27(32)16-11-24)25-12-17-29-28(20-25)22(18-19-33-29)7-6-21-4-2-1-3-5-21/h1-20,30H/b7-6+
InChIKeyJJKOUKPZKNANFV-VOTSOKGWSA-N
MW466.41 g/mol
LogP8.89
Rot. Bonds5

About 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline

6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline (PubChem CID 118324062) has the molecular formula C30H21Cl2N and a molecular weight of 466.41 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline
PubChem CID118324062
Molecular FormulaC30H21Cl2N
Molecular Weight466.41 g/mol
Exact Mass465.11
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3nccc(/C=C/c4ccccc4)c3c2)cc1
InChIInChI=1S/C30H21Cl2N/c31-26-13-8-23(9-14-26)30(24-10-15-27(32)16-11-24)25-12-17-29-28(20-25)22(18-19-33-29)7-6-21-4-2-1-3-5-21/h1-20,30H/b7-6+
InChIKeyJJKOUKPZKNANFV-VOTSOKGWSA-N
XLogP8.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline (CID 118324062) is 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline is Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3nccc(/C=C/c4ccccc4)c3c2)cc1.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline?
The InChIKey is JJKOUKPZKNANFV-VOTSOKGWSA-N. The full InChI is InChI=1S/C30H21Cl2N/c31-26-13-8-23(9-14-26)30(24-10-15-27(32)16-11-24)25-12-17-29-28(20-25)22(18-19-33-29)7-6-21-4-2-1-3-5-21/h1-20,30H/b7-6+.
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline?
6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline has a molecular weight of 466.41 g/mol, XLogP of 8.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-[(E)-2-phenylethenyl]quinoline is sourced from PubChem (CID 118324062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).