4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole

C23H19N — CID 71403996

IUPAC4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole
SMILESc1ccc(C2=NCCC2=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19N/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)21-16-17-24-23(21)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyPGNMAMKEHAYLIK-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.38
Rot. Bonds3

About 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole

4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole (PubChem CID 71403996) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole
PubChem CID71403996
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole
SMILESc1ccc(C2=NCCC2=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H19N/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)21-16-17-24-23(21)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyPGNMAMKEHAYLIK-UHFFFAOYSA-N
XLogP5.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline
CID 156695134
(4Z)-4-benzylidene-5-phenyl-2,3-dihydropyrrole
CID 71485632
3,4,9,10-tetraphenyl-2,5,8,11-tetrazabicyclo[10.4.0]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 15873330
1-benzhydrylidene-2H-naphthalene
CID 172757521
3-benzhydrylidene-5-phenyl-1-benzofuran
CID 71697721
7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780
3,4-dihydroisoquinolin-1-yl(phenyl)methanethione
CID 71373487
2-benzhydrylidenecyclobutan-1-ol
CID 46210193
(3-benzhydrylidenecyclopenta-1,4-dien-1-yl)benzene
CID 22327814
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 91485242
[(E)-(2-benzhydrylidenecyclopentylidene)methyl]benzene
CID 162399888
1-(4-chlorophenyl)-3,4-dihydroisoquinoline
CID 14998904

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole?
The IUPAC name of 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole (CID 71403996) is 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole.
What is the SMILES notation for 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole?
The canonical SMILES for 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole is c1ccc(C2=NCCC2=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole?
The InChIKey is PGNMAMKEHAYLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)21-16-17-24-23(21)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole?
4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole has a molecular weight of 309.41 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-5-phenyl-2,3-dihydropyrrole is sourced from PubChem (CID 71403996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).