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

C42H30N6 — CID 23399530

IUPAC9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3nc(-n4c5ccccc5c5cccc(C)c54)nc(-n4c5ccccc5c5cccc(C)c54)n3)c12
InChIInChI=1S/C42H30N6/c1-25-13-10-19-31-28-16-4-7-22-34(28)46(37(25)31)40-43-41(47-35-23-8-5-17-29(35)32-20-11-14-26(2)38(32)47)45-42(44-40)48-36-24-9-6-18-30(36)33-21-12-15-27(3)39(33)48/h4-24H,1-3H3
InChIKeyFVDXJYQOBHQDMA-UHFFFAOYSA-N
MW618.74 g/mol
LogP10.09
Rot. Bonds3

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

9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole (PubChem CID 23399530) has the molecular formula C42H30N6 and a molecular weight of 618.74 g/mol. Its IUPAC name is 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole.

Molecular Properties

Compound Name9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
PubChem CID23399530
Molecular FormulaC42H30N6
Molecular Weight618.74 g/mol
Exact Mass618.25
IUPAC Name9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole
SMILESCc1cccc2c3ccccc3n(-c3nc(-n4c5ccccc5c5cccc(C)c54)nc(-n4c5ccccc5c5cccc(C)c54)n3)c12
InChIInChI=1S/C42H30N6/c1-25-13-10-19-31-28-16-4-7-22-34(28)46(37(25)31)40-43-41(47-35-23-8-5-17-29(35)32-20-11-14-26(2)38(32)47)45-42(44-40)48-36-24-9-6-18-30(36)33-21-12-15-27(3)39(33)48/h4-24H,1-3H3
InChIKeyFVDXJYQOBHQDMA-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

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
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-iodo-1-methylcarbazole
CID 134316149
2-(4,8-dimethylnaphthalen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylcarbazole
CID 118098237
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
CID 178064886
12-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-methylindolo[3,2-c]carbazole
CID 174256085
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
9-(6-carbazol-9-yl-3-methyl-2-pyridinyl)carbazole
CID 170396111
(Z)-but-2-ene;ethane;1-methyl-9-(3-phenylphenyl)carbazole
CID 144884443
CID 174019962
CID 174019962
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole?
The IUPAC name of 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole (CID 23399530) is 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole.
What is the SMILES notation for 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole?
The canonical SMILES for 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole is Cc1cccc2c3ccccc3n(-c3nc(-n4c5ccccc5c5cccc(C)c54)nc(-n4c5ccccc5c5cccc(C)c54)n3)c12.
What is the InChIKey of 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole?
The InChIKey is FVDXJYQOBHQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N6/c1-25-13-10-19-31-28-16-4-7-22-34(28)46(37(25)31)40-43-41(47-35-23-8-5-17-29(35)32-20-11-14-26(2)38(32)47)45-42(44-40)48-36-24-9-6-18-30(36)33-21-12-15-27(3)39(33)48/h4-24H,1-3H3.
What are the key properties of 9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole?
9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-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(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole is sourced from PubChem (CID 23399530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).