3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole

C62H44N4 — CID 158584509

IUPAC3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/2C31H22N2/c1-21-15-18-30-27(19-21)25-12-6-8-14-29(25)33(30)23-16-17-26-24-11-5-7-13-28(24)32(31(26)20-23)22-9-3-2-4-10-22;1-21-15-17-30-26(19-21)27-20-23(16-18-31(27)32(30)22-9-3-2-4-10-22)33-28-13-7-5-11-24(28)25-12-6-8-14-29(25)33/h2*2-20H,1H3
InChIKeyHTQUVAIHVDLVKX-UHFFFAOYSA-N
MW845.06 g/mol
LogP16.38
Rot. Bonds4

About 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole

3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole (PubChem CID 158584509) has the molecular formula C62H44N4 and a molecular weight of 845.06 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
PubChem CID158584509
Molecular FormulaC62H44N4
Molecular Weight845.06 g/mol
Exact Mass844.36
IUPAC Name3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/2C31H22N2/c1-21-15-18-30-27(19-21)25-12-6-8-14-29(25)33(30)23-16-17-26-24-11-5-7-13-28(24)32(31(26)20-23)22-9-3-2-4-10-22;1-21-15-17-30-26(19-21)27-20-23(16-18-31(27)32(30)22-9-3-2-4-10-22)33-28-13-7-5-11-24(28)25-12-6-8-14-29(25)33/h2*2-20H,1H3
InChIKeyHTQUVAIHVDLVKX-UHFFFAOYSA-N
XLogP16.38
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
2-methyl-9-phenylcarbazole
CID 59552741
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole (CID 158584509) is 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole is Cc1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole?
The InChIKey is HTQUVAIHVDLVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H22N2/c1-21-15-18-30-27(19-21)25-12-6-8-14-29(25)33(30)23-16-17-26-24-11-5-7-13-28(24)32(31(26)20-23)22-9-3-2-4-10-22;1-21-15-17-30-26(19-21)27-20-23(16-18-31(27)32(30)22-9-3-2-4-10-22)33-28-13-7-5-11-24(28)25-12-6-8-14-29(25)33/h2*2-20H,1H3.
What are the key properties of 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole?
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole has a molecular weight of 845.06 g/mol, XLogP of 16.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 158584509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).