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

C93H62N8 — CID 142508209

IUPAC9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C93H62N8/c1-59-44-48-86-71(52-59)69-38-21-23-42-82(69)100(86)90-75(80-57-78(63-30-13-5-14-31-63)95-92(97-80)65-34-17-7-18-35-65)56-88(99-84-50-46-67(61-26-9-3-10-27-61)54-73(84)74-55-68(47-51-85(74)99)77-41-25-40-76(94-77)62-28-11-4-12-29-62)91(101-83-43-24-22-39-70(83)72-53-60(2)45-49-87(72)101)89(90)81-58-79(64-32-15-6-16-33-64)96-93(98-81)66-36-19-8-20-37-66/h3-58H,1-2H3
InChIKeyLNDMECHFUNNRNP-UHFFFAOYSA-N
MW1291.58 g/mol
LogP23.57
Rot. Bonds12

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

9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole (PubChem CID 142508209) has the molecular formula C93H62N8 and a molecular weight of 1291.58 g/mol. Its IUPAC name is 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole
PubChem CID142508209
Molecular FormulaC93H62N8
Molecular Weight1291.58 g/mol
Exact Mass1290.51
IUPAC Name9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C93H62N8/c1-59-44-48-86-71(52-59)69-38-21-23-42-82(69)100(86)90-75(80-57-78(63-30-13-5-14-31-63)95-92(97-80)65-34-17-7-18-35-65)56-88(99-84-50-46-67(61-26-9-3-10-27-61)54-73(84)74-55-68(47-51-85(74)99)77-41-25-40-76(94-77)62-28-11-4-12-29-62)91(101-83-43-24-22-39-70(83)72-53-60(2)45-49-87(72)101)89(90)81-58-79(64-32-15-6-16-33-64)96-93(98-81)66-36-19-8-20-37-66/h3-58H,1-2H3
InChIKeyLNDMECHFUNNRNP-UHFFFAOYSA-N
XLogP23.57
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.58
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 137369367
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)-6-(3-phenylcarbazol-9-yl)phenyl]-3-(6-phenyl-2-pyridinyl)carbazole
CID 137369326
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
CID 137369276
9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
CID 137369013
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,6-bis(3-methylcarbazol-9-yl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole
CID 142508102
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 151654422
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole
CID 137369097
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 158497325
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
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

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole (CID 142508209) is 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole?
The InChIKey is LNDMECHFUNNRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H62N8/c1-59-44-48-86-71(52-59)69-38-21-23-42-82(69)100(86)90-75(80-57-78(63-30-13-5-14-31-63)95-92(97-80)65-34-17-7-18-35-65)56-88(99-84-50-46-67(61-26-9-3-10-27-61)54-73(84)74-55-68(47-51-85(74)99)77-41-25-40-76(94-77)62-28-11-4-12-29-62)91(101-83-43-24-22-39-70(83)72-53-60(2)45-49-87(72)101)89(90)81-58-79(64-32-15-6-16-33-64)96-93(98-81)66-36-19-8-20-37-66/h3-58H,1-2H3.
What are the key properties of 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole?
9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1291.58 g/mol, XLogP of 23.57, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(2,6-diphenylpyrimidin-4-yl)-2,4-bis(3-methylcarbazol-9-yl)phenyl]-3-phenyl-6-(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 142508209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).