2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine

C30H22N4 — CID 102362915

IUPAC2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)[nH]3)cc(-c3ccc(-c4ccccc4)[nH]3)n2)cc1
InChIInChI=1S/C30H22N4/c1-4-10-21(11-5-1)24-16-18-26(31-24)28-20-29(34-30(33-28)23-14-8-3-9-15-23)27-19-17-25(32-27)22-12-6-2-7-13-22/h1-20,31-32H
InChIKeyHGQCXSHHSWHTBB-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.47
Rot. Bonds5

About 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine

2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine (PubChem CID 102362915) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine
PubChem CID102362915
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC Name2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccc4)[nH]3)cc(-c3ccc(-c4ccccc4)[nH]3)n2)cc1
InChIInChI=1S/C30H22N4/c1-4-10-21(11-5-1)24-16-18-26(31-24)28-20-29(34-30(33-28)23-14-8-3-9-15-23)27-19-17-25(32-27)22-12-6-2-7-13-22/h1-20,31-32H
InChIKeyHGQCXSHHSWHTBB-UHFFFAOYSA-N
XLogP7.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-5-[4-(5-phenyl-1H-pyrrol-2-yl)phenyl]-1H-pyrrole
CID 129072505
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
4,6-bis(6-bromo-2-pyridinyl)-2-phenylpyrimidine
CID 15531052
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine (CID 102362915) is 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccccc4)[nH]3)cc(-c3ccc(-c4ccccc4)[nH]3)n2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine?
The InChIKey is HGQCXSHHSWHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c1-4-10-21(11-5-1)24-16-18-26(31-24)28-20-29(34-30(33-28)23-14-8-3-9-15-23)27-19-17-25(32-27)22-12-6-2-7-13-22/h1-20,31-32H.
What are the key properties of 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine?
2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine has a molecular weight of 438.53 g/mol, XLogP of 7.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(5-phenyl-1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 102362915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).