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

C56H39N7 — CID 167168633

IUPAC9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C56H39N7/c1-36-30-32-43(37(2)34-36)42-31-33-49-47(35-42)44-26-15-16-29-48(44)63(49)50-45(55-59-51(38-18-7-3-8-19-38)57-52(60-55)39-20-9-4-10-21-39)27-17-28-46(50)56-61-53(40-22-11-5-12-23-40)58-54(62-56)41-24-13-6-14-25-41/h3-35H,1-2H3
InChIKeyPIPJWIIIDFPDGO-UHFFFAOYSA-N
MW809.98 g/mol
LogP13.44
Rot. Bonds8

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

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole (PubChem CID 167168633) has the molecular formula C56H39N7 and a molecular weight of 809.98 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
PubChem CID167168633
Molecular FormulaC56H39N7
Molecular Weight809.98 g/mol
Exact Mass809.33
IUPAC Name9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C56H39N7/c1-36-30-32-43(37(2)34-36)42-31-33-49-47(35-42)44-26-15-16-29-48(44)63(49)50-45(55-59-51(38-18-7-3-8-19-38)57-52(60-55)39-20-9-4-10-21-39)27-17-28-46(50)56-61-53(40-22-11-5-12-23-40)58-54(62-56)41-24-13-6-14-25-41/h3-35H,1-2H3
InChIKeyPIPJWIIIDFPDGO-UHFFFAOYSA-N
XLogP13.44
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.98
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 158364667
2-[3-(2-cyanophenyl)-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155447179
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 167168647
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 138555820
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729264
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 138555657
3,6-bis(2,4-dimethylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160520902
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155463382
5-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(3,5-dicyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155447563

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole (CID 167168633) is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
The InChIKey is PIPJWIIIDFPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N7/c1-36-30-32-43(37(2)34-36)42-31-33-49-47(35-42)44-26-15-16-29-48(44)63(49)50-45(55-59-51(38-18-7-3-8-19-38)57-52(60-55)39-20-9-4-10-21-39)27-17-28-46(50)56-61-53(40-22-11-5-12-23-40)58-54(62-56)41-24-13-6-14-25-41/h3-35H,1-2H3.
What are the key properties of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole has a molecular weight of 809.98 g/mol, XLogP of 13.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 167168633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).