bis(3,4-diphenylquinoline);hydrate

C42H32N2O — CID 139201276

IUPACbis(3,4-diphenylquinoline);hydrate
SMILESO.c1ccc(-c2cnc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cnc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/2C21H15N.H2O/c2*1-3-9-16(10-4-1)19-15-22-20-14-8-7-13-18(20)21(19)17-11-5-2-6-12-17;/h2*1-15H;1H2
InChIKeyGYSYSAGOMAZLOH-UHFFFAOYSA-N
MW580.73 g/mol
LogP10.31
Rot. Bonds4

About bis(3,4-diphenylquinoline);hydrate

bis(3,4-diphenylquinoline);hydrate (PubChem CID 139201276) has the molecular formula C42H32N2O and a molecular weight of 580.73 g/mol. Its IUPAC name is bis(3,4-diphenylquinoline);hydrate.

Molecular Properties

Compound Namebis(3,4-diphenylquinoline);hydrate
PubChem CID139201276
Molecular FormulaC42H32N2O
Molecular Weight580.73 g/mol
Exact Mass580.25
IUPAC Namebis(3,4-diphenylquinoline);hydrate
SMILESO.c1ccc(-c2cnc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cnc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/2C21H15N.H2O/c2*1-3-9-16(10-4-1)19-15-22-20-14-8-7-13-18(20)21(19)17-11-5-2-6-12-17;/h2*1-15H;1H2
InChIKeyGYSYSAGOMAZLOH-UHFFFAOYSA-N
XLogP10.31
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(3,4-diphenylquinoline);hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-diphenylphosphoryl-4-phenylquinoline
CID 177449256
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
4-methyl-3-(4-methylphenyl)quinoline
CID 59375945
4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
CID 118564017
4'-(4-phenylquinolin-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 166995491
3,4-diphenyl-5H-pyrido[3,2-b]indole
CID 15355508
(2-chlorophenyl)-(4-phenylquinolin-3-yl)methanone
CID 135033358
7,12-bis(3,4-diphenylphenyl)benzo[j]phenanthridine
CID 59183234
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
3-chloro-2,4-diphenylquinoline
CID 10781654
3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58309487

Frequently Asked Questions

What is the IUPAC name of bis(3,4-diphenylquinoline);hydrate?
The IUPAC name of bis(3,4-diphenylquinoline);hydrate (CID 139201276) is bis(3,4-diphenylquinoline);hydrate.
What is the SMILES notation for bis(3,4-diphenylquinoline);hydrate?
The canonical SMILES for bis(3,4-diphenylquinoline);hydrate is O.c1ccc(-c2cnc3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cnc3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of bis(3,4-diphenylquinoline);hydrate?
The InChIKey is GYSYSAGOMAZLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H15N.H2O/c2*1-3-9-16(10-4-1)19-15-22-20-14-8-7-13-18(20)21(19)17-11-5-2-6-12-17;/h2*1-15H;1H2.
What are the key properties of bis(3,4-diphenylquinoline);hydrate?
bis(3,4-diphenylquinoline);hydrate has a molecular weight of 580.73 g/mol, XLogP of 10.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-diphenylquinoline);hydrate is sourced from PubChem (CID 139201276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).