9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole

C48H35N5 — CID 174181977

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc(C)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C48H35N5/c1-30-22-24-43-38(26-30)36-18-10-12-20-41(36)52(43)35-23-25-44-39(29-35)37-19-11-13-21-42(37)53(44)45-28-32(3)31(2)27-40(45)48-50-46(33-14-6-4-7-15-33)49-47(51-48)34-16-8-5-9-17-34/h4-29H,1-3H3
InChIKeyAQOBYAMLAQFFFF-UHFFFAOYSA-N
MW681.84 g/mol
LogP11.99
Rot. Bonds5

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole (PubChem CID 174181977) has the molecular formula C48H35N5 and a molecular weight of 681.84 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
PubChem CID174181977
Molecular FormulaC48H35N5
Molecular Weight681.84 g/mol
Exact Mass681.29
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc(C)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C48H35N5/c1-30-22-24-43-38(26-30)36-18-10-12-20-41(36)52(43)35-23-25-44-39(29-35)37-19-11-13-21-42(37)53(44)45-28-32(3)31(2)27-40(45)48-50-46(33-14-6-4-7-15-33)49-47(51-48)34-16-8-5-9-17-34/h4-29H,1-3H3
InChIKeyAQOBYAMLAQFFFF-UHFFFAOYSA-N
XLogP11.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4,6-diphenylpyrimidin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181980
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 158572406
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138566204
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole (CID 174181977) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cc(C)c(C)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole?
The InChIKey is AQOBYAMLAQFFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N5/c1-30-22-24-43-38(26-30)36-18-10-12-20-41(36)52(43)35-23-25-44-39(29-35)37-19-11-13-21-42(37)53(44)45-28-32(3)31(2)27-40(45)48-50-46(33-14-6-4-7-15-33)49-47(51-48)34-16-8-5-9-17-34/h4-29H,1-3H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole has a molecular weight of 681.84 g/mol, XLogP of 11.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole is sourced from PubChem (CID 174181977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).