9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole

C82H55N3 — CID 169056298

IUPAC9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C82H55N3/c1-9-25-56(26-10-1)60-41-45-66(46-42-60)77-55-78(84-82(83-77)67-47-43-61(44-48-67)57-27-11-2-12-28-57)70-53-73(64-37-21-7-22-38-64)79(74(54-70)65-39-23-8-24-40-65)85-80-71(62-33-17-5-18-34-62)49-68(58-29-13-3-14-30-58)51-75(80)76-52-69(59-31-15-4-16-32-59)50-72(81(76)85)63-35-19-6-20-36-63/h1-55H
InChIKeyINOXJQJLPMJVQP-UHFFFAOYSA-N
MW1082.36 g/mol
LogP21.91
Rot. Bonds12

About 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole

9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole (PubChem CID 169056298) has the molecular formula C82H55N3 and a molecular weight of 1082.36 g/mol. Its IUPAC name is 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole.

Molecular Properties

Compound Name9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
PubChem CID169056298
Molecular FormulaC82H55N3
Molecular Weight1082.36 g/mol
Exact Mass1081.44
IUPAC Name9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C82H55N3/c1-9-25-56(26-10-1)60-41-45-66(46-42-60)77-55-78(84-82(83-77)67-47-43-61(44-48-67)57-27-11-2-12-28-57)70-53-73(64-37-21-7-22-38-64)79(74(54-70)65-39-23-8-24-40-65)85-80-71(62-33-17-5-18-34-62)49-68(58-29-13-3-14-30-58)51-75(80)76-52-69(59-31-15-4-16-32-59)50-72(81(76)85)63-35-19-6-20-36-63/h1-55H
InChIKeyINOXJQJLPMJVQP-UHFFFAOYSA-N
XLogP21.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.36
LogP ≤ 521.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole 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-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 169056002
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 164948626
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,8-diphenylcarbazole
CID 146281025
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-1,8-diphenylcarbazole
CID 146281289
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-1,4,5,8-tetraphenylcarbazole
CID 153301126
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole?
The IUPAC name of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole (CID 169056298) is 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole.
What is the SMILES notation for 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole?
The canonical SMILES for 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccccc5)c(-n5c6c(-c7ccccc7)cc(-c7ccccc7)cc6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)c(-c5ccccc5)c4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole?
The InChIKey is INOXJQJLPMJVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H55N3/c1-9-25-56(26-10-1)60-41-45-66(46-42-60)77-55-78(84-82(83-77)67-47-43-61(44-48-67)57-27-11-2-12-28-57)70-53-73(64-37-21-7-22-38-64)79(74(54-70)65-39-23-8-24-40-65)85-80-71(62-33-17-5-18-34-62)49-68(58-29-13-3-14-30-58)51-75(80)76-52-69(59-31-15-4-16-32-59)50-72(81(76)85)63-35-19-6-20-36-63/h1-55H.
What are the key properties of 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole?
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole has a molecular weight of 1082.36 g/mol, XLogP of 21.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole is sourced from PubChem (CID 169056298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).