2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole

C30H34N2 — CID 137454404

IUPAC2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
SMILESCc1cc2c(cc1N1[C@@H](C)C3(C)CCC1(C)C3(C)C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C30H34N2/c1-20-18-27-24(23-14-10-11-15-25(23)31(27)22-12-8-7-9-13-22)19-26(20)32-21(2)29(5)16-17-30(32,6)28(29,3)4/h7-15,18-19,21H,16-17H2,1-6H3/t21-,29?,30?/m0/s1
InChIKeyOEQRKVFACSWAHJ-KCOBHRJASA-N
MW422.62 g/mol
LogP7.89
Rot. Bonds2

About 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole

2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole (PubChem CID 137454404) has the molecular formula C30H34N2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
PubChem CID137454404
Molecular FormulaC30H34N2
Molecular Weight422.62 g/mol
Exact Mass422.27
IUPAC Name2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole
SMILESCc1cc2c(cc1N1[C@@H](C)C3(C)CCC1(C)C3(C)C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C30H34N2/c1-20-18-27-24(23-14-10-11-15-25(23)31(27)22-12-8-7-9-13-22)19-26(20)32-21(2)29(5)16-17-30(32,6)28(29,3)4/h7-15,18-19,21H,16-17H2,1-6H3/t21-,29?,30?/m0/s1
InChIKeyOEQRKVFACSWAHJ-KCOBHRJASA-N
XLogP7.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(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
3-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2-methyl-9-phenylcarbazole
CID 162296119
3-[(2S)-2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl]-2-methyl-9-phenylcarbazole
CID 137454882
(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
16-[2,5-dimethyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163572455
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
2-methyl-9-phenylcarbazole
CID 59552741
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
1,2,3,3-tetramethyl-9-phenylcyclopenta[b]carbazole
CID 118603153
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole (CID 137454404) is 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole is Cc1cc2c(cc1N1[C@@H](C)C3(C)CCC1(C)C3(C)C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole?
The InChIKey is OEQRKVFACSWAHJ-KCOBHRJASA-N. The full InChI is InChI=1S/C30H34N2/c1-20-18-27-24(23-14-10-11-15-25(23)31(27)22-12-8-7-9-13-22)19-26(20)32-21(2)29(5)16-17-30(32,6)28(29,3)4/h7-15,18-19,21H,16-17H2,1-6H3/t21-,29?,30?/m0/s1.
What are the key properties of 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole?
2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole has a molecular weight of 422.62 g/mol, XLogP of 7.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3S)-1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 137454404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).