2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine

C110H76N10 — CID 165098297

IUPAC2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
SMILESC1=CCC(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccn8)n7)n6)cc5)cc4)n3)cc2)C=C1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6ccnc(-c7cc(-c8ccccc8)cc(-c8ccccn8)n7)c6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C55H39N5.C55H37N5/c1-4-13-38(14-5-1)40-26-32-46(33-27-40)55-59-51(43-17-8-3-9-18-43)37-52(60-55)45-30-24-42(25-31-45)41-22-28-44(29-23-41)48-20-12-21-50(57-48)54-36-47(39-15-6-2-7-16-39)35-53(58-54)49-19-10-11-34-56-49;1-4-12-38(13-5-1)40-25-29-46(30-26-40)55-59-50(44-16-8-3-9-17-44)37-51(60-55)45-27-23-42(24-28-45)41-19-21-43(22-20-41)47-31-33-57-52(34-47)54-36-48(39-14-6-2-7-15-39)35-53(58-54)49-18-10-11-32-56-49/h1-13,15-38H,14H2;1-37H
InChIKeyXWULQPPHNJUFOB-UHFFFAOYSA-N
MW1537.89 g/mol
LogP27.26
Rot. Bonds18

About 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine

2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine (PubChem CID 165098297) has the molecular formula C110H76N10 and a molecular weight of 1537.89 g/mol. Its IUPAC name is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
PubChem CID165098297
Molecular FormulaC110H76N10
Molecular Weight1537.89 g/mol
Exact Mass1536.63
IUPAC Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
SMILESC1=CCC(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccn8)n7)n6)cc5)cc4)n3)cc2)C=C1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6ccnc(-c7cc(-c8ccccc8)cc(-c8ccccn8)n7)c6)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C55H39N5.C55H37N5/c1-4-13-38(14-5-1)40-26-32-46(33-27-40)55-59-51(43-17-8-3-9-18-43)37-52(60-55)45-30-24-42(25-31-45)41-22-28-44(29-23-41)48-20-12-21-50(57-48)54-36-47(39-15-6-2-7-16-39)35-53(58-54)49-19-10-11-34-56-49;1-4-12-38(13-5-1)40-25-29-46(30-26-40)55-59-50(44-16-8-3-9-17-44)37-51(60-55)45-27-23-42(24-28-45)41-19-21-43(22-20-41)47-31-33-57-52(34-47)54-36-48(39-14-6-2-7-15-39)35-53(58-54)49-18-10-11-32-56-49/h1-13,15-38H,14H2;1-37H
InChIKeyXWULQPPHNJUFOB-UHFFFAOYSA-N
XLogP27.26
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001537.89
LogP ≤ 527.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-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

2-[3-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165107682
2-[2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-pyridin-2-yl-2-pyridinyl]-4-pyridinyl]-4,6-diphenylpyrimidine
CID 164816888
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
2,4-diphenyl-6-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817201
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4-diphenyl-6-[2-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 163762426
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(4-phenylphenyl)-6-[2-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 154987166
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
4,6-diphenyl-2-[4-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
CID 165014167
2,4-diphenyl-6-[2-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 164817190

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine (CID 165098297) is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine is C1=CCC(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc(-c7cc(-c8ccccc8)cc(-c8ccccn8)n7)n6)cc5)cc4)n3)cc2)C=C1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6ccnc(-c7cc(-c8ccccc8)cc(-c8ccccn8)n7)c6)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine?
The InChIKey is XWULQPPHNJUFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5.C55H37N5/c1-4-13-38(14-5-1)40-26-32-46(33-27-40)55-59-51(43-17-8-3-9-18-43)37-52(60-55)45-30-24-42(25-31-45)41-22-28-44(29-23-41)48-20-12-21-50(57-48)54-36-47(39-15-6-2-7-16-39)35-53(58-54)49-19-10-11-34-56-49;1-4-12-38(13-5-1)40-25-29-46(30-26-40)55-59-50(44-16-8-3-9-17-44)37-51(60-55)45-27-23-42(24-28-45)41-19-21-43(22-20-41)47-31-33-57-52(34-47)54-36-48(39-14-6-2-7-15-39)35-53(58-54)49-18-10-11-32-56-49/h1-13,15-38H,14H2;1-37H.
What are the key properties of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine?
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine has a molecular weight of 1537.89 g/mol, XLogP of 27.26, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-phenyl-6-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine;4-phenyl-2-(4-phenylphenyl)-6-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 165098297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).