2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine

C34H30N2 — CID 129125761

IUPAC2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine
SMILESCC1=CC2c3ccccc3C=C(C3C(C)c4ccccc4C4=CC=CCN43)N2C=C1c1ccccc1
InChIInChI=1S/C34H30N2/c1-23-20-32-28-16-7-6-14-26(28)21-33(36(32)22-30(23)25-12-4-3-5-13-25)34-24(2)27-15-8-9-17-29(27)31-18-10-11-19-35(31)34/h3-18,20-22,24,32,34H,19H2,1-2H3
InChIKeyNMDOFZCTNLABKY-UHFFFAOYSA-N
MW466.63 g/mol
LogP7.78
Rot. Bonds2

About 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine

2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine (PubChem CID 129125761) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine.

Molecular Properties

Compound Name2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine
PubChem CID129125761
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine
SMILESCC1=CC2c3ccccc3C=C(C3C(C)c4ccccc4C4=CC=CCN43)N2C=C1c1ccccc1
InChIInChI=1S/C34H30N2/c1-23-20-32-28-16-7-6-14-26(28)21-33(36(32)22-30(23)25-12-4-3-5-13-25)34-24(2)27-15-8-9-17-29(27)31-18-10-11-19-35(31)34/h3-18,20-22,24,32,34H,19H2,1-2H3
InChIKeyNMDOFZCTNLABKY-UHFFFAOYSA-N
XLogP7.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-3-(2-methyl-3-phenyl-11bH-benzo[a]quinolizin-7-yl)-1-azatetracyclo[9.4.0.02,4.05,10]pentadeca-5,7,9,11,13-pentaene
CID 145094376
(7S)-7-[(6R)-2-phenyl-6,10b-dihydropyrido[1,2-b]isoindol-6-yl]-6,7-dihydro-4H-benzo[a]quinolizine
CID 126614306
(6S)-2-methyl-6-[2-(4-methyl-1,2-dihydropyridin-6-yl)phenyl]-3-phenyl-6,10b-dihydropyrido[2,1-a]isoindole
CID 126701068
6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine
CID 144579274
2-bromo-1-cyclopenta-1,3-dien-1-yl-1H-indene
CID 91299044
3-[2-(1,4-dimethyl-5-phenyl-2H-pyridin-2-yl)phenyl]-2,4-dimethyl-5-azatetracyclo[8.4.0.02,4.05,9]tetradeca-1(14),6,8,10,12-pentaene
CID 129229764
1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
CID 141168944
5-methyl-1H-indeno[2,1-b]indole
CID 173141591
4H-pyrido[2,1-a]phthalazine
CID 172823650
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647
6-phenyl-2H-pyridine-1-carboxylic acid
CID 68789885
1-methyl-4-phenyl-1H-2,3-benzodiazepine
CID 609887

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine?
The IUPAC name of 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine (CID 129125761) is 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine.
What is the SMILES notation for 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine?
The canonical SMILES for 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine is CC1=CC2c3ccccc3C=C(C3C(C)c4ccccc4C4=CC=CCN43)N2C=C1c1ccccc1.
What is the InChIKey of 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine?
The InChIKey is NMDOFZCTNLABKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-23-20-32-28-16-7-6-14-26(28)21-33(36(32)22-30(23)25-12-4-3-5-13-25)34-24(2)27-15-8-9-17-29(27)31-18-10-11-19-35(31)34/h3-18,20-22,24,32,34H,19H2,1-2H3.
What are the key properties of 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine?
2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine has a molecular weight of 466.63 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine is sourced from PubChem (CID 129125761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).