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

C36H32N2 — CID 145094376

IUPAC2,4-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
SMILESCC1=CC2c3ccccc3C(C3C4(C)c5ccccc5C5=CC=CCN5C34C)=CN2C=C1c1ccccc1
InChIInChI=1S/C36H32N2/c1-24-21-33-27-16-8-7-15-26(27)30(23-37(33)22-29(24)25-13-5-4-6-14-25)34-35(2)31-18-10-9-17-28(31)32-19-11-12-20-38(32)36(34,35)3/h4-19,21-23,33-34H,20H2,1-3H3
InChIKeyNFYFKYCCKXCBRP-UHFFFAOYSA-N
MW492.67 g/mol
LogP7.96
Rot. Bonds2

About 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

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 (PubChem CID 145094376) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID145094376
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name2,4-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
SMILESCC1=CC2c3ccccc3C(C3C4(C)c5ccccc5C5=CC=CCN5C34C)=CN2C=C1c1ccccc1
InChIInChI=1S/C36H32N2/c1-24-21-33-27-16-8-7-15-26(27)30(23-37(33)22-29(24)25-13-5-4-6-14-25)34-35(2)31-18-10-9-17-28(31)32-19-11-12-20-38(32)36(34,35)3/h4-19,21-23,33-34H,20H2,1-3H3
InChIKeyNFYFKYCCKXCBRP-UHFFFAOYSA-N
XLogP7.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
2-methyl-6-(7-methyl-6,7-dihydro-4H-benzo[a]quinolizin-6-yl)-3-phenyl-11bH-benzo[a]quinolizine
CID 129125761
6-(2,6-dimethylphenyl)-1-methyl-2H-pyridine;ethane;4-methyl-5-phenyl-2-(2-propan-2-ylphenyl)-1,2-dihydropyridine
CID 144579274
(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
1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
CID 141168944
6-[2-(1,2-dihydropyridin-2-yl)phenyl]-3,6-dimethyl-9-phenyl-4H-pyrido[2,1-a]isoindole
CID 129199829
CID 87518738
CID 87518738
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
4,8b-dimethyl-1,2-diphenyl-2aH-cyclobuta[a]naphthalene
CID 23270393
1-methyl-1,3-diphenylindene
CID 11977257
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=CC2c3ccccc3C(C3C4(C)c5ccccc5C5=CC=CCN5C34C)=CN2C=C1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is NFYFKYCCKXCBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/c1-24-21-33-27-16-8-7-15-26(27)30(23-37(33)22-29(24)25-13-5-4-6-14-25)34-35(2)31-18-10-9-17-28(31)32-19-11-12-20-38(32)36(34,35)3/h4-19,21-23,33-34H,20H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 492.67 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145094376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).