9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole

C42H30N6 — CID 155367112

IUPAC9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C)ccc32)nc(-n2c3ccccc3c3cc(C)ccc32)n1
InChIInChI=1S/C42H30N6/c1-25-16-19-37-31(22-25)28-10-4-7-13-34(28)46(37)40-43-41(47-35-14-8-5-11-29(35)32-23-26(2)17-20-38(32)47)45-42(44-40)48-36-15-9-6-12-30(36)33-24-27(3)18-21-39(33)48/h4-24H,1-3H3
InChIKeyRGEAQERQYODXIX-UHFFFAOYSA-N
MW618.74 g/mol
LogP10.09
Rot. Bonds3

About 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole

9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole (PubChem CID 155367112) has the molecular formula C42H30N6 and a molecular weight of 618.74 g/mol. Its IUPAC name is 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
PubChem CID155367112
Molecular FormulaC42H30N6
Molecular Weight618.74 g/mol
Exact Mass618.25
IUPAC Name9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C)ccc32)nc(-n2c3ccccc3c3cc(C)ccc32)n1
InChIInChI=1S/C42H30N6/c1-25-16-19-37-31(22-25)28-10-4-7-13-34(28)46(37)40-43-41(47-35-14-8-5-11-29(35)32-23-26(2)17-20-38(32)47)45-42(44-40)48-36-15-9-6-12-30(36)33-24-27(3)18-21-39(33)48/h4-24H,1-3H3
InChIKeyRGEAQERQYODXIX-UHFFFAOYSA-N
XLogP10.09
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.74
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-carbazol-9-yl-4,6-bis(3,6-dimethylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 153461375
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 147263328
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-(2-carbazol-9-yl-6-methylpyrimidin-4-yl)carbazole;9-(6-carbazol-9-ylpyrimidin-4-yl)-2-methylcarbazole;9-(6-carbazol-9-ylpyrimidin-4-yl)-3-methylcarbazole;9-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-2-methylcarbazole;9-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-3-methylcarbazole
CID 159012296
9-[2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-4,5-dimethylphenyl]-3-methylcarbazole
CID 174181953
3-methyl-9-oxidocarbazole
CID 166517305
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole?
The IUPAC name of 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole (CID 155367112) is 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole.
What is the SMILES notation for 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole?
The canonical SMILES for 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3cc(C)ccc32)nc(-n2c3ccccc3c3cc(C)ccc32)n1.
What is the InChIKey of 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole?
The InChIKey is RGEAQERQYODXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N6/c1-25-16-19-37-31(22-25)28-10-4-7-13-34(28)46(37)40-43-41(47-35-14-8-5-11-29(35)32-23-26(2)17-20-38(32)47)45-42(44-40)48-36-15-9-6-12-30(36)33-24-27(3)18-21-39(33)48/h4-24H,1-3H3.
What are the key properties of 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole?
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole has a molecular weight of 618.74 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole is sourced from PubChem (CID 155367112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).