9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole

C30H32N2 — CID 155616178

IUPAC9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole
SMILES[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-n1ccc(C(C)C)c1-n1c2ccccc2c2cccc(C(C)C)c21
InChIInChI=1S/C30H32N2/c1-19(2)23-14-10-15-26-25-13-7-8-16-27(25)32(29(23)26)30-24(20(3)4)17-18-31(30)28-21(5)11-9-12-22(28)6/h7-20H,1-6H3/i5D3,6D3
InChIKeyITGOVXNOJLNEBZ-SCPKHUGHSA-N
MW426.64 g/mol
LogP8.44
Rot. Bonds6

About 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole

9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole (PubChem CID 155616178) has the molecular formula C30H32N2 and a molecular weight of 426.64 g/mol. Its IUPAC name is 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole.

Molecular Properties

Compound Name9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole
PubChem CID155616178
Molecular FormulaC30H32N2
Molecular Weight426.64 g/mol
Exact Mass426.29
IUPAC Name9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole
SMILES[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-n1ccc(C(C)C)c1-n1c2ccccc2c2cccc(C(C)C)c21
InChIInChI=1S/C30H32N2/c1-19(2)23-14-10-15-26-25-13-7-8-16-27(25)32(29(23)26)30-24(20(3)4)17-18-31(30)28-21(5)11-9-12-22(28)6/h7-20H,1-6H3/i5D3,6D3
InChIKeyITGOVXNOJLNEBZ-SCPKHUGHSA-N
XLogP8.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.64
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole
CID 118262173
1-methyl-9-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)carbazole
CID 140705700
1-methyl-9-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]carbazole
CID 155616142
4,7-di(carbazol-9-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 121248042
5,6-di(carbazol-9-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 121247998
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
CID 23399530
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-propan-2-yl-[1]benzothiolo[2,3-a]carbazole
CID 90180539
14-(2,6-dimethylphenyl)-15-methyl-1,13,15,19-tetraza-14-borahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-2,4,6,8(21),9,11,16(22),17,19-nonaene
CID 166020377
9-[4-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[5-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole;9-[4-[2,6-di(propan-2-yl)phenyl]-1,5-dimethylpyridin-1-ium-2-yl]-1-methylcarbazole
CID 158431142
9-[1-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-1-methylcarbazole
CID 118041658
2-[2,6-di(propan-2-yl)phenyl]-1,3,4-trimethyl-1,3,2-benzodiazaborole
CID 166020394
4,6-di(carbazol-9-yl)-2,5-di(propan-2-yl)benzene-1,3-dicarbonitrile
CID 139550439

Frequently Asked Questions

What is the IUPAC name of 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole?
The IUPAC name of 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole (CID 155616178) is 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole.
What is the SMILES notation for 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole?
The canonical SMILES for 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole is [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-n1ccc(C(C)C)c1-n1c2ccccc2c2cccc(C(C)C)c21.
What is the InChIKey of 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole?
The InChIKey is ITGOVXNOJLNEBZ-SCPKHUGHSA-N. The full InChI is InChI=1S/C30H32N2/c1-19(2)23-14-10-15-26-25-13-7-8-16-27(25)32(29(23)26)30-24(20(3)4)17-18-31(30)28-21(5)11-9-12-22(28)6/h7-20H,1-6H3/i5D3,6D3.
What are the key properties of 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole?
9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole has a molecular weight of 426.64 g/mol, XLogP of 8.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole is sourced from PubChem (CID 155616178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).