2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

C64H42N4 — CID 71286955

IUPAC2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1
InChIInChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-37-51(44-19-7-2-8-20-44)39-53(38-50)68-61-28-16-14-26-55(61)57-36-32-49(41-63(57)68)48-31-35-56-54-25-13-15-27-60(54)67(62(56)40-48)52-33-29-47(30-34-52)64-65-58(45-21-9-3-10-22-45)42-59(66-64)46-23-11-4-12-24-46/h1-42H
InChIKeyPHQBPAFNJFQWJU-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 71286955) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID71286955
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1
InChIInChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-37-51(44-19-7-2-8-20-44)39-53(38-50)68-61-28-16-14-26-55(61)57-36-32-49(41-63(57)68)48-31-35-56-54-25-13-15-27-60(54)67(62(56)40-48)52-33-29-47(30-34-52)64-65-58(45-21-9-3-10-22-45)42-59(66-64)46-23-11-4-12-24-46/h1-42H
InChIKeyPHQBPAFNJFQWJU-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
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
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 163832529
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287167

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (CID 71286955) is 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)cc(-c9ccccc9)n8)cc7)c6c5)cc43)c2)cc1.
What is the InChIKey of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is PHQBPAFNJFQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-17-43(18-6-1)50-37-51(44-19-7-2-8-20-44)39-53(38-50)68-61-28-16-14-26-55(61)57-36-32-49(41-63(57)68)48-31-35-56-54-25-13-15-27-60(54)67(62(56)40-48)52-33-29-47(30-34-52)64-65-58(45-21-9-3-10-22-45)42-59(66-64)46-23-11-4-12-24-46/h1-42H.
What are the key properties of 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 71286955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).