9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole

C88H54N12 — CID 146379780

IUPAC9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6nc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)n6)n5)c4)n3)n2)cc1
InChIInChI=1S/C88H54N12/c1-4-25-55(26-5-1)69-51-70(56-27-6-2-7-28-56)90-85(89-69)86-91-71(57-29-8-3-9-30-57)52-72(92-86)60-32-24-31-58(49-60)59-47-48-80-68(50-59)67-39-16-23-46-79(67)100(80)84-54-83(99-77-44-21-14-37-65(77)66-38-15-22-45-78(66)99)95-88(96-84)87-93-81(97-73-40-17-10-33-61(73)62-34-11-18-41-74(62)97)53-82(94-87)98-75-42-19-12-35-63(75)64-36-13-20-43-76(64)98/h1-54H
InChIKeyZRXDYCREIJMVKU-UHFFFAOYSA-N
MW1279.48 g/mol
LogP20.90
Rot. Bonds11

About 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole

9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 146379780) has the molecular formula C88H54N12 and a molecular weight of 1279.48 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
PubChem CID146379780
Molecular FormulaC88H54N12
Molecular Weight1279.48 g/mol
Exact Mass1278.46
IUPAC Name9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6nc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)n6)n5)c4)n3)n2)cc1
InChIInChI=1S/C88H54N12/c1-4-25-55(26-5-1)69-51-70(56-27-6-2-7-28-56)90-85(89-69)86-91-71(57-29-8-3-9-30-57)52-72(92-86)60-32-24-31-58(49-60)59-47-48-80-68(50-59)67-39-16-23-46-79(67)100(80)84-54-83(99-77-44-21-14-37-65(77)66-38-15-22-45-78(66)99)95-88(96-84)87-93-81(97-73-40-17-10-33-61(73)62-34-11-18-41-74(62)97)53-82(94-87)98-75-42-19-12-35-63(75)64-36-13-20-43-76(64)98/h1-54H
InChIKeyZRXDYCREIJMVKU-UHFFFAOYSA-N
XLogP20.90
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.48
LogP ≤ 520.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
9-[6-(3,6-diphenylcarbazol-9-yl)-4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-pyridinyl]-3,6-diphenylcarbazole
CID 151530880
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159291307
3-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209021
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
9-[6-(3,6-diphenylcarbazol-9-yl)-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 59330290
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 160561828

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole (CID 146379780) is 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-n6c7ccccc7c7ccccc76)nc(-c6nc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)n6)n5)c4)n3)n2)cc1.
What is the InChIKey of 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is ZRXDYCREIJMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H54N12/c1-4-25-55(26-5-1)69-51-70(56-27-6-2-7-28-56)90-85(89-69)86-91-71(57-29-8-3-9-30-57)52-72(92-86)60-32-24-31-58(49-60)59-47-48-80-68(50-59)67-39-16-23-46-79(67)100(80)84-54-83(99-77-44-21-14-37-65(77)66-38-15-22-45-78(66)99)95-88(96-84)87-93-81(97-73-40-17-10-33-61(73)62-34-11-18-41-74(62)97)53-82(94-87)98-75-42-19-12-35-63(75)64-36-13-20-43-76(64)98/h1-54H.
What are the key properties of 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1279.48 g/mol, XLogP of 20.90, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-2-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]pyrimidin-4-yl]-3-[3-[2-(4,6-diphenylpyrimidin-2-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 146379780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).