9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C78H50N8 — CID 88557862

IUPAC9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccn8)cc7)cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)cc5)cc4)n3)cc2)nc1
InChIInChI=1S/C78H50N8/c1-5-19-73-63(13-1)64-14-2-6-20-74(64)85(73)61-43-39-57(40-44-61)71-49-69(55-31-27-53(28-32-55)67-17-9-11-47-79-67)81-77(83-71)59-35-23-51(24-36-59)52-25-37-60(38-26-52)78-82-70(56-33-29-54(30-34-56)68-18-10-12-48-80-68)50-72(84-78)58-41-45-62(46-42-58)86-75-21-7-3-15-65(75)66-16-4-8-22-76(66)86/h1-50H
InChIKeyHKLQOFAQHASTDF-UHFFFAOYSA-N
MW1099.31 g/mol
LogP19.25
Rot. Bonds11

About 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 88557862) has the molecular formula C78H50N8 and a molecular weight of 1099.31 g/mol. Its IUPAC name is 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID88557862
Molecular FormulaC78H50N8
Molecular Weight1099.31 g/mol
Exact Mass1098.42
IUPAC Name9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccn8)cc7)cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)cc5)cc4)n3)cc2)nc1
InChIInChI=1S/C78H50N8/c1-5-19-73-63(13-1)64-14-2-6-20-74(64)85(73)61-43-39-57(40-44-61)71-49-69(55-31-27-53(28-32-55)67-17-9-11-47-79-67)81-77(83-71)59-35-23-51(24-36-59)52-25-37-60(38-26-52)78-82-70(56-33-29-54(30-34-56)68-18-10-12-48-80-68)50-72(84-78)58-41-45-62(46-42-58)86-75-21-7-3-15-65(75)66-16-4-8-22-76(66)86/h1-50H
InChIKeyHKLQOFAQHASTDF-UHFFFAOYSA-N
XLogP19.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.31
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
9-[4-[6-(4-pyridin-2-ylphenyl)-2-triphenylen-2-ylpyrimidin-4-yl]phenyl]carbazole
CID 121422890
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole;9-[4-(2,6-dipyridin-2-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157415442
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
4-bromo-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-bromo-9-[4-(3,5-dipyridin-2-ylphenyl)phenyl]carbazole
CID 158417325

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 88557862) is 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccn8)cc7)cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)cc5)cc4)n3)cc2)nc1.
What is the InChIKey of 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is HKLQOFAQHASTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N8/c1-5-19-73-63(13-1)64-14-2-6-20-74(64)85(73)61-43-39-57(40-44-61)71-49-69(55-31-27-53(28-32-55)67-17-9-11-47-79-67)81-77(83-71)59-35-23-51(24-36-59)52-25-37-60(38-26-52)78-82-70(56-33-29-54(30-34-56)68-18-10-12-48-80-68)50-72(84-78)58-41-45-62(46-42-58)86-75-21-7-3-15-65(75)66-16-4-8-22-76(66)86/h1-50H.
What are the key properties of 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1099.31 g/mol, XLogP of 19.25, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 88557862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).