2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol

C55H39N3O2 — CID 175157618

IUPAC2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
SMILESCc1cc(-c2ccccc2)c(O)c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5-c5cc(C)cc(-n6c7ccccc7c7ccccc76)c5O)n4)cc32)c1
InChIInChI=1S/C55H39N3O2/c1-34-29-44(36-15-4-3-5-16-36)54(59)52(31-34)58-50-26-13-10-21-42(50)43-28-27-37(33-51(43)58)46-22-14-23-47(56-46)39-18-7-6-17-38(39)45-30-35(2)32-53(55(45)60)57-48-24-11-8-19-40(48)41-20-9-12-25-49(41)57/h3-33,59-60H,1-2H3
InChIKeyJQQUVYIIPQTRGV-UHFFFAOYSA-N
MW773.94 g/mol
LogP13.97
Rot. Bonds6

About 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol

2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol (PubChem CID 175157618) has the molecular formula C55H39N3O2 and a molecular weight of 773.94 g/mol. Its IUPAC name is 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol.

Molecular Properties

Compound Name2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
PubChem CID175157618
Molecular FormulaC55H39N3O2
Molecular Weight773.94 g/mol
Exact Mass773.30
IUPAC Name2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
SMILESCc1cc(-c2ccccc2)c(O)c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5-c5cc(C)cc(-n6c7ccccc7c7ccccc76)c5O)n4)cc32)c1
InChIInChI=1S/C55H39N3O2/c1-34-29-44(36-15-4-3-5-16-36)54(59)52(31-34)58-50-26-13-10-21-42(50)43-28-27-37(33-51(43)58)46-22-14-23-47(56-46)39-18-7-6-17-38(39)45-30-35(2)32-53(55(45)60)57-48-24-11-8-19-40(48)41-20-9-12-25-49(41)57/h3-33,59-60H,1-2H3
InChIKeyJQQUVYIIPQTRGV-UHFFFAOYSA-N
XLogP13.97
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 513.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(3-phenylphenyl)phenyl]-3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 158933707
2-[2-(4-methylphenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 118337077
3-(9-phenylcarbazol-2-yl)-9-[3-(6-triphenylen-2-yl-2-pyridinyl)phenyl]carbazole
CID 118509091
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
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018
9-(2,6-diphenyl-4-pyridinyl)-2-(3-methylphenyl)carbazole
CID 145333962
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 142315112
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 169037058
2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-methylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-triphenylen-2-ylcarbazole
CID 159950438
9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
CID 158229713
2-[3-[6-[2-(2-hydroxy-5-methyl-3-phenylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methyl-6-phenylphenol
CID 154622739

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol?
The IUPAC name of 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol (CID 175157618) is 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol.
What is the SMILES notation for 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol?
The canonical SMILES for 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol is Cc1cc(-c2ccccc2)c(O)c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5-c5cc(C)cc(-n6c7ccccc7c7ccccc76)c5O)n4)cc32)c1.
What is the InChIKey of 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol?
The InChIKey is JQQUVYIIPQTRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3O2/c1-34-29-44(36-15-4-3-5-16-36)54(59)52(31-34)58-50-26-13-10-21-42(50)43-28-27-37(33-51(43)58)46-22-14-23-47(56-46)39-18-7-6-17-38(39)45-30-35(2)32-53(55(45)60)57-48-24-11-8-19-40(48)41-20-9-12-25-49(41)57/h3-33,59-60H,1-2H3.
What are the key properties of 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol?
2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol has a molecular weight of 773.94 g/mol, XLogP of 13.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol is sourced from PubChem (CID 175157618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).