6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene

C56H41N3 — CID 144919758

IUPAC6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
SMILESCc1ccccc1.Cn1c2ccccc2c2ccc(-c3ccc4c(c3)c3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c3n4-c3ccccc3)cc21
InChIInChI=1S/C49H33N3.C7H8/c1-50-44-21-10-8-17-38(44)40-26-23-33(30-47(40)50)32-25-28-46-43(29-32)42-20-12-19-37(49(42)52(46)36-15-6-3-7-16-36)34-24-27-41-39-18-9-11-22-45(39)51(48(41)31-34)35-13-4-2-5-14-35;1-7-5-3-2-4-6-7/h2-31H,1H3;2-6H,1H3
InChIKeyHBWDKNQKRCGNMG-UHFFFAOYSA-N
MW755.97 g/mol
LogP14.85
Rot. Bonds4

About 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene

6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene (PubChem CID 144919758) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene.

Molecular Properties

Compound Name6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
PubChem CID144919758
Molecular FormulaC56H41N3
Molecular Weight755.97 g/mol
Exact Mass755.33
IUPAC Name6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene
SMILESCc1ccccc1.Cn1c2ccccc2c2ccc(-c3ccc4c(c3)c3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c3n4-c3ccccc3)cc21
InChIInChI=1S/C49H33N3.C7H8/c1-50-44-21-10-8-17-38(44)40-26-23-33(30-47(40)50)32-25-28-46-43(29-32)42-20-12-19-37(49(42)52(46)36-15-6-3-7-16-36)34-24-27-41-39-18-9-11-22-45(39)51(48(41)31-34)35-13-4-2-5-14-35;1-7-5-3-2-4-6-7/h2-31H,1H3;2-6H,1H3
InChIKeyHBWDKNQKRCGNMG-UHFFFAOYSA-N
XLogP14.85
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;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

6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
benzene;3-(9-methylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole;6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;6-(9-methylcarbazol-3-yl)-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole;9-methyl-5-(9-phenylcarbazol-2-yl)-3-(9-phenylcarbazol-3-yl)carbazole
CID 160731182
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
CID 126630361
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-methyl-1-phenylcarbazole;9-methyl-1-(4-phenylphenyl)carbazole;9-[3-(3-methylphenyl)phenyl]carbazole;9-(3-methylphenyl)-1-(4-phenylphenyl)carbazole;9-(4-methylphenyl)-1-(4-phenylphenyl)carbazole
CID 161442751
9-methylcarbazole;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3,6,9-trimethylcarbazole
CID 159340323
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
2-(2-methylphenyl)-9-phenylcarbazole;2-(3-methylphenyl)-9-phenylcarbazole;3-(2-methylphenyl)-9-phenylcarbazole;3-(3-methylphenyl)-9-phenylcarbazole;3-(4-methylphenyl)-9-phenylcarbazole
CID 160608277

Frequently Asked Questions

What is the IUPAC name of 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene?
The IUPAC name of 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene (CID 144919758) is 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene.
What is the SMILES notation for 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene?
The canonical SMILES for 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene is Cc1ccccc1.Cn1c2ccccc2c2ccc(-c3ccc4c(c3)c3cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c3n4-c3ccccc3)cc21.
What is the InChIKey of 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene?
The InChIKey is HBWDKNQKRCGNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3.C7H8/c1-50-44-21-10-8-17-38(44)40-26-23-33(30-47(40)50)32-25-28-46-43(29-32)42-20-12-19-37(49(42)52(46)36-15-6-3-7-16-36)34-24-27-41-39-18-9-11-22-45(39)51(48(41)31-34)35-13-4-2-5-14-35;1-7-5-3-2-4-6-7/h2-31H,1H3;2-6H,1H3.
What are the key properties of 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene?
6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene has a molecular weight of 755.97 g/mol, XLogP of 14.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methylcarbazol-2-yl)-9-phenyl-1-(9-phenylcarbazol-2-yl)carbazole;toluene is sourced from PubChem (CID 144919758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).