9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole

C82H53N5 — CID 159949401

IUPAC9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C82H53N5/c1-5-23-54(24-6-1)58-43-45-79-71(49-58)72-50-59(55-25-7-2-8-26-55)44-46-80(72)87(79)81-69(60-31-21-33-63(47-60)85-75-39-17-13-35-65(75)66-36-14-18-40-76(66)85)51-62(82-83-73(56-27-9-3-10-28-56)53-74(84-82)57-29-11-4-12-30-57)52-70(81)61-32-22-34-64(48-61)86-77-41-19-15-37-67(77)68-38-16-20-42-78(68)86/h1-53H
InChIKeyAVMCFMPPLMTYLH-UHFFFAOYSA-N
MW1108.36 g/mol
LogP21.44
Rot. Bonds10

About 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 159949401) has the molecular formula C82H53N5 and a molecular weight of 1108.36 g/mol. Its IUPAC name is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
PubChem CID159949401
Molecular FormulaC82H53N5
Molecular Weight1108.36 g/mol
Exact Mass1107.43
IUPAC Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C82H53N5/c1-5-23-54(24-6-1)58-43-45-79-71(49-58)72-50-59(55-25-7-2-8-26-55)44-46-80(72)87(79)81-69(60-31-21-33-63(47-60)85-75-39-17-13-35-65(75)66-36-14-18-40-76(66)85)51-62(82-83-73(56-27-9-3-10-28-56)53-74(84-82)57-29-11-4-12-30-57)52-70(81)61-32-22-34-64(48-61)86-77-41-19-15-37-67(77)68-38-16-20-42-78(68)86/h1-53H
InChIKeyAVMCFMPPLMTYLH-UHFFFAOYSA-N
XLogP21.44
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.36
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole 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-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 159640112
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
CID 158632518
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166786535
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
2-[9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 166786478
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
1-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149319
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
2-[9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 166786384

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole (CID 159949401) is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is AVMCFMPPLMTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H53N5/c1-5-23-54(24-6-1)58-43-45-79-71(49-58)72-50-59(55-25-7-2-8-26-55)44-46-80(72)87(79)81-69(60-31-21-33-63(47-60)85-75-39-17-13-35-65(75)66-36-14-18-40-76(66)85)51-62(82-83-73(56-27-9-3-10-28-56)53-74(84-82)57-29-11-4-12-30-57)52-70(81)61-32-22-34-64(48-61)86-77-41-19-15-37-67(77)68-38-16-20-42-78(68)86/h1-53H.
What are the key properties of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole?
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 1108.36 g/mol, XLogP of 21.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 159949401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).