9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole

C58H41N5 — CID 137421078

IUPAC9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C58H41N5/c1-38-27-30-46(39(2)33-38)44-28-31-48-47-25-15-16-26-54(47)63(56(48)35-44)55-32-29-45(52-36-50(40-17-7-3-8-18-40)59-57(61-52)42-21-11-5-12-22-42)34-49(55)53-37-51(41-19-9-4-10-20-41)60-58(62-53)43-23-13-6-14-24-43/h3-37H,1-2H3
InChIKeyKJGBCSHCGWBVIQ-UHFFFAOYSA-N
MW808.00 g/mol
LogP14.65
Rot. Bonds8

About 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole

9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole (PubChem CID 137421078) has the molecular formula C58H41N5 and a molecular weight of 808.00 g/mol. Its IUPAC name is 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
PubChem CID137421078
Molecular FormulaC58H41N5
Molecular Weight808.00 g/mol
Exact Mass807.34
IUPAC Name9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C58H41N5/c1-38-27-30-46(39(2)33-38)44-28-31-48-47-25-15-16-26-54(47)63(56(48)35-44)55-32-29-45(52-36-50(40-17-7-3-8-18-40)59-57(61-52)42-21-11-5-12-22-42)34-49(55)53-37-51(41-19-9-4-10-20-41)60-58(62-53)43-23-13-6-14-24-43/h3-37H,1-2H3
InChIKeyKJGBCSHCGWBVIQ-UHFFFAOYSA-N
XLogP14.65
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.00
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 158928148
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522
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-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
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-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole
CID 137421456
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 137421448
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(2,6-diphenylpyrimidin-4-yl)phenyl]-2,7-di(carbazol-9-yl)carbazole
CID 137421412
3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161333862
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-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole (CID 137421078) is 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.
What is the InChIKey of 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole?
The InChIKey is KJGBCSHCGWBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N5/c1-38-27-30-46(39(2)33-38)44-28-31-48-47-25-15-16-26-54(47)63(56(48)35-44)55-32-29-45(52-36-50(40-17-7-3-8-18-40)59-57(61-52)42-21-11-5-12-22-42)34-49(55)53-37-51(41-19-9-4-10-20-41)60-58(62-53)43-23-13-6-14-24-43/h3-37H,1-2H3.
What are the key properties of 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole?
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole has a molecular weight of 808.00 g/mol, XLogP of 14.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 137421078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).