3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

C85H67N7 — CID 151051040

IUPAC3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C85H67N7/c1-48-21-29-71-61(37-48)62-38-49(2)22-30-72(62)89(71)81-79(60-45-56(9)86-57(10)46-60)80(70-47-69(58-17-13-11-14-18-58)87-85(88-70)59-19-15-12-16-20-59)82(90-73-31-23-50(3)39-63(73)64-40-51(4)24-32-74(64)90)84(92-77-35-27-54(7)43-67(77)68-44-55(8)28-36-78(68)92)83(81)91-75-33-25-52(5)41-65(75)66-42-53(6)26-34-76(66)91/h11-47H,1-10H3
InChIKeyMECZSOCODJTBSG-UHFFFAOYSA-N
MW1186.52 g/mol
LogP22.01
Rot. Bonds8

About 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole

3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 151051040) has the molecular formula C85H67N7 and a molecular weight of 1186.52 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
PubChem CID151051040
Molecular FormulaC85H67N7
Molecular Weight1186.52 g/mol
Exact Mass1185.55
IUPAC Name3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C85H67N7/c1-48-21-29-71-61(37-48)62-38-49(2)22-30-72(62)89(71)81-79(60-45-56(9)86-57(10)46-60)80(70-47-69(58-17-13-11-14-18-58)87-85(88-70)59-19-15-12-16-20-59)82(90-73-31-23-50(3)39-63(73)64-40-51(4)24-32-74(64)90)84(92-77-35-27-54(7)43-67(77)68-44-55(8)28-36-78(68)92)83(81)91-75-33-25-52(5)41-65(75)66-42-53(6)26-34-76(66)91/h11-47H,1-10H3
InChIKeyMECZSOCODJTBSG-UHFFFAOYSA-N
XLogP22.01
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.52
LogP ≤ 522.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(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

3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 151484643
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146511875
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
2-[2,3,4,5-tetrakis(3,6-dimethylcarbazol-9-yl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-benzothiazole
CID 139533364
3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole
CID 151121692
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole
CID 139545111
3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)-4-(3-methylcarbazol-9-yl)benzonitrile
CID 138555775
2,3,4,6-tetrakis(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 152950452
9-[2-(4,6-diphenylpyrimidin-2-yl)-3,4,5-tris(3-methylcarbazol-9-yl)-6-(6-methyl-2-pyridinyl)phenyl]-3-methylcarbazole
CID 151058896
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 155138334
9-[2,3-bis(3,6-dimethylcarbazol-9-yl)-5-(3,6-dimethyl-9H-fluoren-9-yl)-4,6-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146511876
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 156511324

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole (CID 151051040) is 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-n1c2ccc(C)cc2c2cc(C)ccc21.
What is the InChIKey of 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is MECZSOCODJTBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H67N7/c1-48-21-29-71-61(37-48)62-38-49(2)22-30-72(62)89(71)81-79(60-45-56(9)86-57(10)46-60)80(70-47-69(58-17-13-11-14-18-58)87-85(88-70)59-19-15-12-16-20-59)82(90-73-31-23-50(3)39-63(73)64-40-51(4)24-32-74(64)90)84(92-77-35-27-54(7)43-67(77)68-44-55(8)28-36-78(68)92)83(81)91-75-33-25-52(5)41-65(75)66-42-53(6)26-34-76(66)91/h11-47H,1-10H3.
What are the key properties of 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole?
3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 1186.52 g/mol, XLogP of 22.01, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 151051040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).