3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

C62H46N4 — CID 152543561

IUPAC3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4c(C)cccc4C)ccc32)c1
InChIInChI=1S/C62H46N4/c1-39-17-15-18-40(2)60(39)45-29-31-58-52(35-45)50-25-11-13-27-56(50)65(58)48-33-47(55-38-54(43-21-7-5-8-22-43)63-62(64-55)44-23-9-6-10-24-44)34-49(37-48)66-57-28-14-12-26-51(57)53-36-46(30-32-59(53)66)61-41(3)19-16-20-42(61)4/h5-38H,1-4H3
InChIKeyYMAIJCAJMARUAT-UHFFFAOYSA-N
MW847.08 g/mol
LogP16.24
Rot. Bonds7

About 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 152543561) has the molecular formula C62H46N4 and a molecular weight of 847.08 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
PubChem CID152543561
Molecular FormulaC62H46N4
Molecular Weight847.08 g/mol
Exact Mass846.37
IUPAC Name3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4c(C)cccc4C)ccc32)c1
InChIInChI=1S/C62H46N4/c1-39-17-15-18-40(2)60(39)45-29-31-58-52(35-45)50-25-11-13-27-56(50)65(58)48-33-47(55-38-54(43-21-7-5-8-22-43)63-62(64-55)44-23-9-6-10-24-44)34-49(37-48)66-57-28-14-12-26-51(57)53-36-46(30-32-59(53)66)61-41(3)19-16-20-42(61)4/h5-38H,1-4H3
InChIKeyYMAIJCAJMARUAT-UHFFFAOYSA-N
XLogP16.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.08
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
CID 151218968
3-carbazol-9-yl-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,5-dimethylphenyl]carbazole
CID 126730398
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (CID 152543561) is 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is Cc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4c(C)cccc4C)ccc32)c1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is YMAIJCAJMARUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N4/c1-39-17-15-18-40(2)60(39)45-29-31-58-52(35-45)50-25-11-13-27-56(50)65(58)48-33-47(55-38-54(43-21-7-5-8-22-43)63-62(64-55)44-23-9-6-10-24-44)34-49(37-48)66-57-28-14-12-26-51(57)53-36-46(30-32-59(53)66)61-41(3)19-16-20-42(61)4/h5-38H,1-4H3.
What are the key properties of 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 847.08 g/mol, XLogP of 16.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 152543561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).