9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole

C63H44N6 — CID 137421310

IUPAC9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C63H44N6/c1-41-17-15-27-47(35-41)49-29-32-52-53-33-30-50(48-28-16-18-42(2)36-48)39-59(53)69(58(52)38-49)57-34-31-51(62-67-60(45-23-11-5-12-24-45)66-61(68-62)46-25-13-6-14-26-46)37-54(57)63-64-55(43-19-7-3-8-20-43)40-56(65-63)44-21-9-4-10-22-44/h3-40H,1-2H3
InChIKeyKVJIPBQQTREVQM-UHFFFAOYSA-N
MW885.09 g/mol
LogP15.71
Rot. Bonds9

About 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole

9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole (PubChem CID 137421310) has the molecular formula C63H44N6 and a molecular weight of 885.09 g/mol. Its IUPAC name is 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
PubChem CID137421310
Molecular FormulaC63H44N6
Molecular Weight885.09 g/mol
Exact Mass884.36
IUPAC Name9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1
InChIInChI=1S/C63H44N6/c1-41-17-15-27-47(35-41)49-29-32-52-53-33-30-50(48-28-16-18-42(2)36-48)39-59(53)69(58(52)38-49)57-34-31-51(62-67-60(45-23-11-5-12-24-45)66-61(68-62)46-25-13-6-14-26-46)37-54(57)63-64-55(43-19-7-3-8-20-43)40-56(65-63)44-21-9-4-10-22-44/h3-40H,1-2H3
InChIKeyKVJIPBQQTREVQM-UHFFFAOYSA-N
XLogP15.71
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.09
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 137414730
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137421193
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414830
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 137420844
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
3-[7-(3-cyanophenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421475
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 137421098
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 137414581
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole
CID 137420813
9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 155463188

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
The IUPAC name of 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole (CID 137421310) is 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
The canonical SMILES for 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c4ccc(-c5cccc(C)c5)cc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)c1.
What is the InChIKey of 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
The InChIKey is KVJIPBQQTREVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N6/c1-41-17-15-27-47(35-41)49-29-32-52-53-33-30-50(48-28-16-18-42(2)36-48)39-59(53)69(58(52)38-49)57-34-31-51(62-67-60(45-23-11-5-12-24-45)66-61(68-62)46-25-13-6-14-26-46)37-54(57)63-64-55(43-19-7-3-8-20-43)40-56(65-63)44-21-9-4-10-22-44/h3-40H,1-2H3.
What are the key properties of 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole?
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole has a molecular weight of 885.09 g/mol, XLogP of 15.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(3-methylphenyl)carbazole is sourced from PubChem (CID 137421310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).