9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole

C50H38N4 — CID 123168034

IUPAC9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C)c(-c2cccc(-c3cccc(-c4c(C)cccc4-n4c5ccccc5c5ccccc54)n3)n2)c1
InChIInChI=1S/C50H38N4/c1-31-22-26-47-39(28-31)40-29-32(2)23-27-48(40)53(47)35-25-24-33(3)38(30-35)41-15-10-16-42(51-41)43-17-11-18-44(52-43)50-34(4)12-9-21-49(50)54-45-19-7-5-13-36(45)37-14-6-8-20-46(37)54/h5-30H,1-4H3
InChIKeyFYZIWMZTUBMZMZ-UHFFFAOYSA-N
MW694.88 g/mol
LogP12.91
Rot. Bonds5

About 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole

9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole (PubChem CID 123168034) has the molecular formula C50H38N4 and a molecular weight of 694.88 g/mol. Its IUPAC name is 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole
PubChem CID123168034
Molecular FormulaC50H38N4
Molecular Weight694.88 g/mol
Exact Mass694.31
IUPAC Name9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C)c(-c2cccc(-c3cccc(-c4c(C)cccc4-n4c5ccccc5c5ccccc54)n3)n2)c1
InChIInChI=1S/C50H38N4/c1-31-22-26-47-39(28-31)40-29-32(2)23-27-48(40)53(47)35-25-24-33(3)38(30-35)41-15-10-16-42(51-41)43-17-11-18-44(52-43)50-34(4)12-9-21-49(50)54-45-19-7-5-13-36(45)37-14-6-8-20-46(37)54/h5-30H,1-4H3
InChIKeyFYZIWMZTUBMZMZ-UHFFFAOYSA-N
XLogP12.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole
CID 123748491
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
9-[4-tert-butyl-3-[5-[6-(2-tert-butyl-6-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]-3-methylcarbazole
CID 123187653
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-[2-(4,6-diphenylpyrimidin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181980
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181977
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 161152563
3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170224676
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole (CID 123168034) is 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C)c(-c2cccc(-c3cccc(-c4c(C)cccc4-n4c5ccccc5c5ccccc54)n3)n2)c1.
What is the InChIKey of 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole?
The InChIKey is FYZIWMZTUBMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4/c1-31-22-26-47-39(28-31)40-29-32(2)23-27-48(40)53(47)35-25-24-33(3)38(30-35)41-15-10-16-42(51-41)43-17-11-18-44(52-43)50-34(4)12-9-21-49(50)54-45-19-7-5-13-36(45)37-14-6-8-20-46(37)54/h5-30H,1-4H3.
What are the key properties of 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole?
9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole has a molecular weight of 694.88 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 123168034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).