9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole

C64H45N5 — CID 137414581

IUPAC9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C64H45N5/c1-42-19-15-17-29-51(42)48-31-34-53-54-35-32-49(52-30-18-16-20-43(52)2)39-62(54)69(61(53)38-48)60-36-33-50(63-65-56(44-21-7-3-8-22-44)40-57(66-63)45-23-9-4-10-24-45)37-55(60)64-67-58(46-25-11-5-12-26-46)41-59(68-64)47-27-13-6-14-28-47/h3-41H,1-2H3
InChIKeyAMOVTWZHADHKRI-UHFFFAOYSA-N
MW884.10 g/mol
LogP16.32
Rot. Bonds9

About 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole

9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole (PubChem CID 137414581) has the molecular formula C64H45N5 and a molecular weight of 884.10 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
PubChem CID137414581
Molecular FormulaC64H45N5
Molecular Weight884.10 g/mol
Exact Mass883.37
IUPAC Name9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C64H45N5/c1-42-19-15-17-29-51(42)48-31-34-53-54-35-32-49(52-30-18-16-20-43(52)2)39-62(54)69(61(53)38-48)60-36-33-50(63-65-56(44-21-7-3-8-22-44)40-57(66-63)45-23-9-4-10-24-45)37-55(60)64-67-58(46-25-11-5-12-26-46)41-59(68-64)47-27-13-6-14-28-47/h3-41H,1-2H3
InChIKeyAMOVTWZHADHKRI-UHFFFAOYSA-N
XLogP16.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.10
LogP ≤ 516.32
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-(2-methylphenyl)carbazole
CID 137421448
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-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 137414730
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
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-(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-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
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-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 138566151
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole
CID 155232386
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

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole (CID 137414581) is 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-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]-2,7-bis(2-methylphenyl)carbazole?
The InChIKey is AMOVTWZHADHKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N5/c1-42-19-15-17-29-51(42)48-31-34-53-54-35-32-49(52-30-18-16-20-43(52)2)39-62(54)69(61(53)38-48)60-36-33-50(63-65-56(44-21-7-3-8-22-44)40-57(66-63)45-23-9-4-10-24-45)37-55(60)64-67-58(46-25-11-5-12-26-46)41-59(68-64)47-27-13-6-14-28-47/h3-41H,1-2H3.
What are the key properties of 9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole?
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole has a molecular weight of 884.10 g/mol, XLogP of 16.32, 9 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]-2,7-bis(2-methylphenyl)carbazole is sourced from PubChem (CID 137414581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).