9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene

C46H42N2 — CID 158058919

IUPAC9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
SMILESCc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H15N.C13H11N.2C7H8/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;2*1-7-5-3-2-4-6-7/h2-13H,1H3;2-9H,1H3;2*2-6H,1H3
InChIKeyFKKCWFGUDGMFSP-UHFFFAOYSA-N
MW622.86 g/mol
LogP12.41
Rot. Bonds1

About 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene

9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene (PubChem CID 158058919) has the molecular formula C46H42N2 and a molecular weight of 622.86 g/mol. Its IUPAC name is 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene.

Molecular Properties

Compound Name9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
PubChem CID158058919
Molecular FormulaC46H42N2
Molecular Weight622.86 g/mol
Exact Mass622.33
IUPAC Name9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
SMILESCc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C19H15N.C13H11N.2C7H8/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;2*1-7-5-3-2-4-6-7/h2-13H,1H3;2-9H,1H3;2*2-6H,1H3
InChIKeyFKKCWFGUDGMFSP-UHFFFAOYSA-N
XLogP12.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.86
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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
9-[3-[4-(4-methylphenyl)phenyl]phenyl]-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
CID 170201902
9-[4-(3-methylphenyl)phenyl]-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
CID 170201895
3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
CID 126630361
bis(1,1'-biphenyl);ethane;tetrakis(9-methylcarbazole);naphthalene;octakis(9-phenylcarbazole)
CID 159506518

Frequently Asked Questions

What is the IUPAC name of 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene?
The IUPAC name of 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene (CID 158058919) is 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene.
What is the SMILES notation for 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene?
The canonical SMILES for 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene is Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1ccccc1.Cc1ccccc1.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene?
The InChIKey is FKKCWFGUDGMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C13H11N.2C7H8/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;2*1-7-5-3-2-4-6-7/h2-13H,1H3;2-9H,1H3;2*2-6H,1H3.
What are the key properties of 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene?
9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene has a molecular weight of 622.86 g/mol, XLogP of 12.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene is sourced from PubChem (CID 158058919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).