2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine

C72H46N12 — CID 59500753

IUPAC2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-c4nc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)n4)n3)n2)cc1
InChIInChI=1S/C72H46N12/c1-9-25-47(26-10-1)55-41-56(48-27-11-2-12-28-48)74-67(73-55)63-45-64(68-75-57(49-29-13-3-14-30-49)42-58(76-68)50-31-15-4-16-32-50)82-71(81-63)72-83-65(69-77-59(51-33-17-5-18-34-51)43-60(78-69)52-35-19-6-20-36-52)46-66(84-72)70-79-61(53-37-21-7-22-38-53)44-62(80-70)54-39-23-8-24-40-54/h1-46H
InChIKeyZPYOBCKHAPHDDB-UHFFFAOYSA-N
MW1079.24 g/mol
LogP16.10
Rot. Bonds13

About 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine

2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine (PubChem CID 59500753) has the molecular formula C72H46N12 and a molecular weight of 1079.24 g/mol. Its IUPAC name is 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine
PubChem CID59500753
Molecular FormulaC72H46N12
Molecular Weight1079.24 g/mol
Exact Mass1078.40
IUPAC Name2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-c4nc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)n4)n3)n2)cc1
InChIInChI=1S/C72H46N12/c1-9-25-47(26-10-1)55-41-56(48-27-11-2-12-28-48)74-67(73-55)63-45-64(68-75-57(49-29-13-3-14-30-49)42-58(76-68)50-31-15-4-16-32-50)82-71(81-63)72-83-65(69-77-59(51-33-17-5-18-34-51)43-60(78-69)52-35-19-6-20-36-52)46-66(84-72)70-79-61(53-37-21-7-22-38-53)44-62(80-70)54-39-23-8-24-40-54/h1-46H
InChIKeyZPYOBCKHAPHDDB-UHFFFAOYSA-N
XLogP16.10
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.24
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)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-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
4-(2-Amino-5,6-diphenyl-pyrimidin-4-yl)-5,6-diphenyl-pyrimidin-2-amine
CID 340857
4-(4-Benzylpiperazin-1-yl)-2-phenyl-6-(5-phenylpyridin-3-yl)pyrimidine
CID 4069661
1-methyl-N-[[(2R,4S,5R)-5-(2-methyl-6-phenylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]piperidin-4-amine
CID 45360474
3-Benzyl-7-methyl-2,4-di(piperid-1-yl)-1,8-naphthyridine
CID 478048
2,4,6-Triphenylpyrimidine
CID 1201436
Tetraphenylpyrimidine
CID 12744669
2-[2-[[4-[[2-(4-Aminoquinazolin-2-yl)phenyl]diazenyl]piperazin-1-yl]diazenyl]phenyl]quinazolin-4-amine
CID 424333
4-Phenyl-2,7-bis(4-phenylpiperazin-1-yl)-1,8-naphthyridine
CID 491881
2,2'-Dimethyl-6,6'-diphenyl-4,4'-bipyrimidine
CID 14949527
N-[2,6-di(propan-2-yl)phenyl]-1-[2-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]-6-methylpyrimidin-4-yl]-1-phenylmethanimine
CID 12091397
2-(4,6-Diphenylpyrimidin-2-yl)-4,6-diphenylpyrimidine
CID 12144432

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine?
The IUPAC name of 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine (CID 59500753) is 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine?
The canonical SMILES for 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)nc(-c4nc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)n4)n3)n2)cc1.
What is the InChIKey of 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine?
The InChIKey is ZPYOBCKHAPHDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N12/c1-9-25-47(26-10-1)55-41-56(48-27-11-2-12-28-48)74-67(73-55)63-45-64(68-75-57(49-29-13-3-14-30-49)42-58(76-68)50-31-15-4-16-32-50)82-71(81-63)72-83-65(69-77-59(51-33-17-5-18-34-51)43-60(78-69)52-35-19-6-20-36-52)46-66(84-72)70-79-61(53-37-21-7-22-38-53)44-62(80-70)54-39-23-8-24-40-54/h1-46H.
What are the key properties of 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine?
2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine has a molecular weight of 1079.24 g/mol, XLogP of 16.10, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 59500753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).