2-benzhydryl-3-phenylquinoline

C28H21N — CID 134913972

IUPAC2-benzhydryl-3-phenylquinoline
SMILESc1ccc(-c2cc3ccccc3nc2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H21N/c1-4-12-21(13-5-1)25-20-24-18-10-11-19-26(24)29-28(25)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,27H
InChIKeyNMSORRATJSBPOA-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.08
Rot. Bonds4

About 2-benzhydryl-3-phenylquinoline

2-benzhydryl-3-phenylquinoline (PubChem CID 134913972) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-benzhydryl-3-phenylquinoline.

Molecular Properties

Compound Name2-benzhydryl-3-phenylquinoline
PubChem CID134913972
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name2-benzhydryl-3-phenylquinoline
SMILESc1ccc(-c2cc3ccccc3nc2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H21N/c1-4-12-21(13-5-1)25-20-24-18-10-11-19-26(24)29-28(25)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,27H
InChIKeyNMSORRATJSBPOA-UHFFFAOYSA-N
XLogP7.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-phenylquinolin-2-amine;hydrochloride
CID 43865994
4-hydroxy-5,5-bis(3-phenylquinolin-2-yl)pent-3-en-2-one
CID 166135028
2-(8-phenylbenzo[c]phenanthren-5-yl)quinoline
CID 59282390
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
CID 171732288
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652751
3-phenyl-2-thiophen-3-ylquinoline
CID 164677257
iridium;tris(2-phenylquinoline)
CID 122129463
1,3-diphenylacridine
CID 139708395
2-(azetidin-3-yl)-3-phenylquinoline
CID 58547244
10-phenyl-5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29-pentadecaene
CID 141282309
acridine
CID 21226281

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3-phenylquinoline?
The IUPAC name of 2-benzhydryl-3-phenylquinoline (CID 134913972) is 2-benzhydryl-3-phenylquinoline.
What is the SMILES notation for 2-benzhydryl-3-phenylquinoline?
The canonical SMILES for 2-benzhydryl-3-phenylquinoline is c1ccc(-c2cc3ccccc3nc2C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydryl-3-phenylquinoline?
The InChIKey is NMSORRATJSBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-4-12-21(13-5-1)25-20-24-18-10-11-19-26(24)29-28(25)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20,27H.
What are the key properties of 2-benzhydryl-3-phenylquinoline?
2-benzhydryl-3-phenylquinoline has a molecular weight of 371.48 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3-phenylquinoline is sourced from PubChem (CID 134913972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).