bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol

C30H21Cl2NO — CID 118324111

IUPACbis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nccc(/C=C/c3ccccc3)c2c1
InChIInChI=1S/C30H21Cl2NO/c31-26-13-8-23(9-14-26)30(34,24-10-15-27(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/h1-20,34H/b7-6+
InChIKeyXKNGJBBRHVEYIR-VOTSOKGWSA-N
MW482.41 g/mol
LogP8.00
Rot. Bonds5

About bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol

bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol (PubChem CID 118324111) has the molecular formula C30H21Cl2NO and a molecular weight of 482.41 g/mol. Its IUPAC name is bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol.

Molecular Properties

Compound Namebis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol
PubChem CID118324111
Molecular FormulaC30H21Cl2NO
Molecular Weight482.41 g/mol
Exact Mass481.10
IUPAC Namebis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nccc(/C=C/c3ccccc3)c2c1
InChIInChI=1S/C30H21Cl2NO/c31-26-13-8-23(9-14-26)30(34,24-10-15-27(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/h1-20,34H/b7-6+
InChIKeyXKNGJBBRHVEYIR-VOTSOKGWSA-N
XLogP8.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol?
The IUPAC name of bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol (CID 118324111) is bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol.
What is the SMILES notation for bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol?
The canonical SMILES for bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nccc(/C=C/c3ccccc3)c2c1.
What is the InChIKey of bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol?
The InChIKey is XKNGJBBRHVEYIR-VOTSOKGWSA-N. The full InChI is InChI=1S/C30H21Cl2NO/c31-26-13-8-23(9-14-26)30(34,24-10-15-27(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/h1-20,34H/b7-6+.
What are the key properties of bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol?
bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol has a molecular weight of 482.41 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methanol is sourced from PubChem (CID 118324111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).