9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole

C43H29N3 — CID 170201856

IUPAC9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
InChIInChI=1S/C43H29N3/c1-28-21-23-36-34-15-4-8-19-40(34)46(43(36)25-28)31-22-24-42-37(27-31)35-16-5-9-20-41(35)45(42)30-12-10-11-29(26-30)44-38-17-6-2-13-32(38)33-14-3-7-18-39(33)44/h2-27H,1H3
InChIKeyUULNGYXXYZTHSB-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.29
Rot. Bonds3

About 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole

9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole (PubChem CID 170201856) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
PubChem CID170201856
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1
InChIInChI=1S/C43H29N3/c1-28-21-23-36-34-15-4-8-19-40(34)46(43(36)25-28)31-22-24-42-37(27-31)35-16-5-9-20-41(35)45(42)30-12-10-11-29(26-30)44-38-17-6-2-13-32(38)33-14-3-7-18-39(33)44/h2-27H,1H3
InChIKeyUULNGYXXYZTHSB-UHFFFAOYSA-N
XLogP11.29
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
2-methyl-9-phenylcarbazole
CID 59552741
3-(2-methylcarbazol-9-yl)aniline
CID 168798283
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
ethane;9-(3-methylphenyl)carbazole
CID 143904684
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole (CID 170201856) is 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole is Cc1ccc2c3ccccc3n(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2c1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole?
The InChIKey is UULNGYXXYZTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-28-21-23-36-34-15-4-8-19-40(34)46(43(36)25-28)31-22-24-42-37(27-31)35-16-5-9-20-41(35)45(42)30-12-10-11-29(26-30)44-38-17-6-2-13-32(38)33-14-3-7-18-39(33)44/h2-27H,1H3.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole?
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole has a molecular weight of 587.73 g/mol, XLogP of 11.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole is sourced from PubChem (CID 170201856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).