2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene

C72H84N2 — CID 161381124

IUPAC2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene
SMILESCC1CC2CCC1CC2.CCC1CC2CCC1CC2.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H]
InChIInChI=1S/C19H15N.C13H11N.C10H18.C9H16.3C7H8/c1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-9-7-8-3-5-10(9)6-4-8;1-7-6-8-2-4-9(7)5-3-8;3*1-7-5-3-2-4-6-7/h2-13H,1H3;2-9H,1H3;8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;3*2-6H,1H3/i;;;;2D,3D,4D,5D,6D;;
InChIKeyVRSUTAFLBQDQQY-AUCGZJHASA-N
MW982.51 g/mol
LogP20.46
Rot. Bonds2

About 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene

2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene (PubChem CID 161381124) has the molecular formula C72H84N2 and a molecular weight of 982.51 g/mol. Its IUPAC name is 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene.

Molecular Properties

Compound Name2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene
PubChem CID161381124
Molecular FormulaC72H84N2
Molecular Weight982.51 g/mol
Exact Mass981.69
IUPAC Name2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene
SMILESCC1CC2CCC1CC2.CCC1CC2CCC1CC2.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H]
InChIInChI=1S/C19H15N.C13H11N.C10H18.C9H16.3C7H8/c1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-9-7-8-3-5-10(9)6-4-8;1-7-6-8-2-4-9(7)5-3-8;3*1-7-5-3-2-4-6-7/h2-13H,1H3;2-9H,1H3;8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;3*2-6H,1H3/i;;;;2D,3D,4D,5D,6D;;
InChIKeyVRSUTAFLBQDQQY-AUCGZJHASA-N
XLogP20.46
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.51
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene 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

9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 158058919
9-methylcarbazole;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole
CID 157064367
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 157467248
1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
CID 159994070
7-methyl-5-phenylindolo[2,3-b]carbazole;5-(3-methylphenyl)-7-phenylindolo[2,3-b]carbazole;5-(4-methylphenyl)-7-phenylindolo[2,3-b]carbazole;11-(4-methylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 163939990
2-methyl-1,3-bis(2-methylpropyl)benzene;2-methyl-1,3-di(propan-2-yl)benzene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-methyl-12-phenylindolo[2,3-a]carbazole;5-methyl-12-phenylindolo[3,2-c]carbazole;12-methyl-5-phenylindolo[3,2-c]carbazole;1,2,3,4-tetradeuterio-5,6-dimethylbenzene;1,2,3,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene
CID 167657984
9-methyl-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163434801
9-(4-methylphenyl)-N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]carbazol-3-amine
CID 118315327
N-[4-(9-methylcarbazol-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 177077786
2-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 171414552

Frequently Asked Questions

What is the IUPAC name of 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene?
The IUPAC name of 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene (CID 161381124) is 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene.
What is the SMILES notation for 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene?
The canonical SMILES for 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene is CC1CC2CCC1CC2.CCC1CC2CCC1CC2.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.[2H]c1c([2H])c([2H])c(C)c([2H])c1[2H].
What is the InChIKey of 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene?
The InChIKey is VRSUTAFLBQDQQY-AUCGZJHASA-N. The full InChI is InChI=1S/C19H15N.C13H11N.C10H18.C9H16.3C7H8/c1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-2-9-7-8-3-5-10(9)6-4-8;1-7-6-8-2-4-9(7)5-3-8;3*1-7-5-3-2-4-6-7/h2-13H,1H3;2-9H,1H3;8-10H,2-7H2,1H3;7-9H,2-6H2,1H3;3*2-6H,1H3/i;;;;2D,3D,4D,5D,6D;;.
What are the key properties of 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene?
2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene has a molecular weight of 982.51 g/mol, XLogP of 20.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbicyclo[2.2.2]octane;2-methylbicyclo[2.2.2]octane;9-methylcarbazole;4-methyl-9-phenylcarbazole;1,2,3,4,5-pentadeuterio-6-methylbenzene;toluene is sourced from PubChem (CID 161381124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).