4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine

C69H47N3 — CID 167363662

IUPAC4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C69H47N3/c1-7-20-48(21-8-1)50-34-40-53(41-35-50)62-47-63(54-42-36-51(37-43-54)49-22-9-2-10-23-49)71-69(70-62)61-33-19-32-60(46-61)52-38-44-57(45-39-52)64-65(55-24-11-3-12-25-55)67(58-28-15-5-16-29-58)72-68(59-30-17-6-18-31-59)66(64)56-26-13-4-14-27-56/h1-47H
InChIKeyKQXGYQPLNZWTBX-UHFFFAOYSA-N
MW918.16 g/mol
LogP18.21
Rot. Bonds11

About 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine

4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine (PubChem CID 167363662) has the molecular formula C69H47N3 and a molecular weight of 918.16 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
PubChem CID167363662
Molecular FormulaC69H47N3
Molecular Weight918.16 g/mol
Exact Mass917.38
IUPAC Name4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C69H47N3/c1-7-20-48(21-8-1)50-34-40-53(41-35-50)62-47-63(54-42-36-51(37-43-54)49-22-9-2-10-23-49)71-69(70-62)61-33-19-32-60(46-61)52-38-44-57(45-39-52)64-65(55-24-11-3-12-25-55)67(58-28-15-5-16-29-58)72-68(59-30-17-6-18-31-59)66(64)56-26-13-4-14-27-56/h1-47H
InChIKeyKQXGYQPLNZWTBX-UHFFFAOYSA-N
XLogP18.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.16
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine 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

4,6-bis(4-phenylphenyl)-2-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363690
2,4-bis(3,5-diphenylphenyl)-6-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363729
4-phenyl-2-(4-phenylphenyl)-6-[3-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363809
2,4-bis(3-phenylphenyl)-6-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363684
4,6-diphenyl-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363817
4,6-bis(3-phenylphenyl)-2-[4-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine
CID 167363784
2-(3,5-diphenylphenyl)-4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363657
2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
CID 167363777
4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 167363721
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 167363792
4-phenyl-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-2-(4-triphenylen-2-ylphenyl)pyrimidine
CID 167363670
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine (CID 167363662) is 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)nc(-c7ccccc7)c6-c6ccccc6)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine?
The InChIKey is KQXGYQPLNZWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N3/c1-7-20-48(21-8-1)50-34-40-53(41-35-50)62-47-63(54-42-36-51(37-43-54)49-22-9-2-10-23-49)71-69(70-62)61-33-19-32-60(46-61)52-38-44-57(45-39-52)64-65(55-24-11-3-12-25-55)67(58-28-15-5-16-29-58)72-68(59-30-17-6-18-31-59)66(64)56-26-13-4-14-27-56/h1-47H.
What are the key properties of 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine?
4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine has a molecular weight of 918.16 g/mol, XLogP of 18.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-phenylphenyl)-2-[3-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 167363662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).