6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole

C31H28N2 — CID 129199829

IUPAC6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole
SMILESCC1=CC=C2c3cc(-c4ccccc4)ccc3C(C)(c3ccccc3C3C=CC=CN3)N2C1
InChIInChI=1S/C31H28N2/c1-22-15-18-30-26-20-24(23-10-4-3-5-11-23)16-17-28(26)31(2,33(30)21-22)27-13-7-6-12-25(27)29-14-8-9-19-32-29/h3-20,29,32H,21H2,1-2H3
InChIKeyMHUDOZCRQZGQMP-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.95
Rot. Bonds3

About 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole

6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole (PubChem CID 129199829) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole.

Molecular Properties

Compound Name6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole
PubChem CID129199829
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole
SMILESCC1=CC=C2c3cc(-c4ccccc4)ccc3C(C)(c3ccccc3C3C=CC=CN3)N2C1
InChIInChI=1S/C31H28N2/c1-22-15-18-30-26-20-24(23-10-4-3-5-11-23)16-17-28(26)31(2,33(30)21-22)27-13-7-6-12-25(27)29-14-8-9-19-32-29/h3-20,29,32H,21H2,1-2H3
InChIKeyMHUDOZCRQZGQMP-UHFFFAOYSA-N
XLogP6.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole with MolForge

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Related Compounds

2-[5-phenyl-2-[(Z)-prop-1-enyl]phenyl]-1,2-dihydropyridine
CID 129229858
2-(5-methyl-5,6-dihydronaphthalen-1-yl)-1,2-dihydropyridine
CID 137491209
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
9-(1,3,3-trimethyl-5-phenyl-2H-inden-1-yl)-9H-fluorene
CID 102073577
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
9,9-dimethyl-6-phenyl-2,3-dihydrofluorene
CID 178165588
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
16-[4-(1,2-dihydropyridin-2-yl)phenyl]-14,14-dimethyl-1-azapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8(13),9,15,17,19,21-nonaene
CID 129310561
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 145340801
9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284031

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole?
The IUPAC name of 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole (CID 129199829) is 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole.
What is the SMILES notation for 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole?
The canonical SMILES for 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole is CC1=CC=C2c3cc(-c4ccccc4)ccc3C(C)(c3ccccc3C3C=CC=CN3)N2C1.
What is the InChIKey of 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole?
The InChIKey is MHUDOZCRQZGQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-22-15-18-30-26-20-24(23-10-4-3-5-11-23)16-17-28(26)31(2,33(30)21-22)27-13-7-6-12-25(27)29-14-8-9-19-32-29/h3-20,29,32H,21H2,1-2H3.
What are the key properties of 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole?
6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole has a molecular weight of 428.58 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole is sourced from PubChem (CID 129199829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).