9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole

C48H34N4 — CID 123748491

IUPAC9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2cccc(-c3c(C)cccc3-n3c4ccccc4c4ccccc43)n2)n1
InChIInChI=1S/C48H34N4/c1-31-28-29-33(51-43-23-7-3-15-34(43)35-16-4-8-24-44(35)51)30-38(31)39-19-12-20-40(49-39)41-21-13-22-42(50-41)48-32(2)14-11-27-47(48)52-45-25-9-5-17-36(45)37-18-6-10-26-46(37)52/h3-30H,1-2H3
InChIKeyFEINHDSDAYOLOX-UHFFFAOYSA-N
MW666.83 g/mol
LogP12.29
Rot. Bonds5

About 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole

9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole (PubChem CID 123748491) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole
PubChem CID123748491
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2cccc(-c3c(C)cccc3-n3c4ccccc4c4ccccc43)n2)n1
InChIInChI=1S/C48H34N4/c1-31-28-29-33(51-43-23-7-3-15-34(43)35-16-4-8-24-44(35)51)30-38(31)39-19-12-20-40(49-39)41-21-13-22-42(50-41)48-32(2)14-11-27-47(48)52-45-25-9-5-17-36(45)37-18-6-10-26-46(37)52/h3-30H,1-2H3
InChIKeyFEINHDSDAYOLOX-UHFFFAOYSA-N
XLogP12.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[6-[6-(2-carbazol-9-yl-6-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenyl]-3,6-dimethylcarbazole
CID 123168034
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
9-(4-carbazol-9-yl-9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole;9-(6-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole;9-(9-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole;9-(10-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27,29,31,33,35-octadecaenyl)carbazole
CID 162230175
9-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126730073
9-[3-methyl-4-[6-[5-[2-methyl-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]-3-phenylcarbazole
CID 123834159
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
9-[4-carbazol-9-yl-2-(4-methylphenyl)phenyl]carbazole
CID 59742176
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 118041251
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole?
The IUPAC name of 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole (CID 123748491) is 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole.
What is the SMILES notation for 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole?
The canonical SMILES for 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole is Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cccc(-c2cccc(-c3c(C)cccc3-n3c4ccccc4c4ccccc43)n2)n1.
What is the InChIKey of 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole?
The InChIKey is FEINHDSDAYOLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-31-28-29-33(51-43-23-7-3-15-34(43)35-16-4-8-24-44(35)51)30-38(31)39-19-12-20-40(49-39)41-21-13-22-42(50-41)48-32(2)14-11-27-47(48)52-45-25-9-5-17-36(45)37-18-6-10-26-46(37)52/h3-30H,1-2H3.
What are the key properties of 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole?
9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole has a molecular weight of 666.83 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[6-[6-(5-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]-2-pyridinyl]-3-methylphenyl]carbazole is sourced from PubChem (CID 123748491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).