9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole

C89H60N6 — CID 170534028

IUPAC9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)n1
InChIInChI=1S/C89H60N6/c1-57-35-47-84-73(51-57)74-52-58(2)36-48-85(74)95(84)86-55-77(69-29-15-16-30-70(69)79-56-78(61-25-11-5-12-26-61)90-89(91-79)64-27-13-6-14-28-64)87(62-37-43-67(44-38-62)93-80-33-19-17-31-71(80)75-53-65(41-49-82(75)93)59-21-7-3-8-22-59)88(92-86)63-39-45-68(46-40-63)94-81-34-20-18-32-72(81)76-54-66(42-50-83(76)94)60-23-9-4-10-24-60/h3-56H,1-2H3
InChIKeyXVUJNAWHUDSTIP-UHFFFAOYSA-N
MW1213.50 g/mol
LogP23.12
Rot. Bonds11

About 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole

9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole (PubChem CID 170534028) has the molecular formula C89H60N6 and a molecular weight of 1213.50 g/mol. Its IUPAC name is 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole
PubChem CID170534028
Molecular FormulaC89H60N6
Molecular Weight1213.50 g/mol
Exact Mass1212.49
IUPAC Name9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)n1
InChIInChI=1S/C89H60N6/c1-57-35-47-84-73(51-57)74-52-58(2)36-48-85(74)95(84)86-55-77(69-29-15-16-30-70(69)79-56-78(61-25-11-5-12-26-61)90-89(91-79)64-27-13-6-14-28-64)87(62-37-43-67(44-38-62)93-80-33-19-17-31-71(80)75-53-65(41-49-82(75)93)59-21-7-3-8-22-59)88(92-86)63-39-45-68(46-40-63)94-81-34-20-18-32-72(81)76-54-66(42-50-83(76)94)60-23-9-4-10-24-60/h3-56H,1-2H3
InChIKeyXVUJNAWHUDSTIP-UHFFFAOYSA-N
XLogP23.12
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.50
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-(2,6-diphenyl-4-pyridinyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]phenyl]-3,6-dimethylcarbazole
CID 151211237
5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 150070640
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
5-[5,6-bis[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]pyrido[3,2-b]indole
CID 151344897
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71287081
9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-3,6-bis(3-methylcarbazol-9-yl)carbazole
CID 126730044
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[2,6-bis[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole
CID 150396921
3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole;3-[2,6-bis(3,5-dimethylphenyl)pyrimidin-4-yl]-9-(4-phenylphenyl)carbazole;3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-6,9-diphenylcarbazole
CID 159928100
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 137369367

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole (CID 170534028) is 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2ccccc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc2)n1.
What is the InChIKey of 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole?
The InChIKey is XVUJNAWHUDSTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H60N6/c1-57-35-47-84-73(51-57)74-52-58(2)36-48-85(74)95(84)86-55-77(69-29-15-16-30-70(69)79-56-78(61-25-11-5-12-26-61)90-89(91-79)64-27-13-6-14-28-64)87(62-37-43-67(44-38-62)93-80-33-19-17-31-71(80)75-53-65(41-49-82(75)93)59-21-7-3-8-22-59)88(92-86)63-39-45-68(46-40-63)94-81-34-20-18-32-72(81)76-54-66(42-50-83(76)94)60-23-9-4-10-24-60/h3-56H,1-2H3.
What are the key properties of 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole?
9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole has a molecular weight of 1213.50 g/mol, XLogP of 23.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-5,6-bis[4-(3-phenylcarbazol-9-yl)phenyl]-2-pyridinyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 170534028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).