3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole

C27H28N2 — CID 162296119

IUPAC3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
SMILESCc1cc2c(cc1N1C3CCC(C)(C3)C1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C27H28N2/c1-18-15-26-23(16-25(18)28-19(2)27(3)14-13-21(28)17-27)22-11-7-8-12-24(22)29(26)20-9-5-4-6-10-20/h4-12,15-16,19,21H,13-14,17H2,1-3H3
InChIKeyDQNCWVDWNHDIPK-UHFFFAOYSA-N
MW380.54 g/mol
LogP6.86
Rot. Bonds2

About 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole

3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole (PubChem CID 162296119) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
PubChem CID162296119
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
SMILESCc1cc2c(cc1N1C3CCC(C)(C3)C1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C27H28N2/c1-18-15-26-23(16-25(18)28-19(2)27(3)14-13-21(28)17-27)22-11-7-8-12-24(22)29(26)20-9-5-4-6-10-20/h4-12,15-16,19,21H,13-14,17H2,1-3H3
InChIKeyDQNCWVDWNHDIPK-UHFFFAOYSA-N
XLogP6.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
CID 137454404
3-[(3S)-1,3-dimethyl-2-azabicyclo[2.2.2]octan-2-yl]-2-methyl-9-phenylcarbazole
CID 137454364
3-[(2S)-2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl]-2-methyl-9-phenylcarbazole
CID 137454846
(11S)-11-methyl-10-(2-methyl-9-phenylcarbazol-3-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454500
2-methyl-9-phenyl-3-(1,8,10-trimethyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)carbazole
CID 162296054
3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
CID 137454882
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 176837359
2-methyl-9-phenylcarbazole
CID 59552741
3-(4-carbazol-9-yl-2,5-dimethylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306789
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
2-methyl-3-[(2R)-2-methyl-1-azabicyclo[2.2.1]heptan-3-yl]-9-phenylcarbazole
CID 137454491

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole?
The IUPAC name of 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole (CID 162296119) is 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole.
What is the SMILES notation for 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole?
The canonical SMILES for 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole is Cc1cc2c(cc1N1C3CCC(C)(C3)C1C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole?
The InChIKey is DQNCWVDWNHDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-18-15-26-23(16-25(18)28-19(2)27(3)14-13-21(28)17-27)22-11-7-8-12-24(22)29(26)20-9-5-4-6-10-20/h4-12,15-16,19,21H,13-14,17H2,1-3H3.
What are the key properties of 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole?
3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole has a molecular weight of 380.54 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole is sourced from PubChem (CID 162296119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).