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

C57H39N5 — CID 137421448

IUPAC9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C57H39N5/c1-38-18-14-15-27-45(38)43-30-32-47-46-28-16-17-29-53(46)62(55(47)35-43)54-33-31-44(56-58-49(39-19-6-2-7-20-39)36-50(59-56)40-21-8-3-9-22-40)34-48(54)57-60-51(41-23-10-4-11-24-41)37-52(61-57)42-25-12-5-13-26-42/h2-37H,1H3
InChIKeyIFSUOFVMEBTCSL-UHFFFAOYSA-N
MW793.97 g/mol
LogP14.34
Rot. Bonds8

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

9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole (PubChem CID 137421448) has the molecular formula C57H39N5 and a molecular weight of 793.97 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
PubChem CID137421448
Molecular FormulaC57H39N5
Molecular Weight793.97 g/mol
Exact Mass793.32
IUPAC Name9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C57H39N5/c1-38-18-14-15-27-45(38)43-30-32-47-46-28-16-17-29-53(46)62(55(47)35-43)54-33-31-44(56-58-49(39-19-6-2-7-20-39)36-50(59-56)40-21-8-3-9-22-40)34-48(54)57-60-51(41-23-10-4-11-24-41)37-52(61-57)42-25-12-5-13-26-42/h2-37H,1H3
InChIKeyIFSUOFVMEBTCSL-UHFFFAOYSA-N
XLogP14.34
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 137414581
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
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-(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-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
9-[4-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 138566151
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 160719289
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155232861
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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(2-methylphenyl)carbazole
CID 162500631
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
CID 137421078
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole (CID 137421448) is 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
The InChIKey is IFSUOFVMEBTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5/c1-38-18-14-15-27-45(38)43-30-32-47-46-28-16-17-29-53(46)62(55(47)35-43)54-33-31-44(56-58-49(39-19-6-2-7-20-39)36-50(59-56)40-21-8-3-9-22-40)34-48(54)57-60-51(41-23-10-4-11-24-41)37-52(61-57)42-25-12-5-13-26-42/h2-37H,1H3.
What are the key properties of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole?
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole has a molecular weight of 793.97 g/mol, XLogP of 14.34, 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(4,6-diphenylpyrimidin-2-yl)phenyl]-2-(2-methylphenyl)carbazole is sourced from PubChem (CID 137421448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).