4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

C40H27BrN2 — CID 155758012

IUPAC4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESBrc1cccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)c1
InChIInChI=1S/C40H27BrN2/c41-37-16-8-14-35(26-37)31-19-17-30(18-20-31)34-13-7-15-36(25-34)39-27-38(32-11-5-2-6-12-32)42-40(43-39)33-23-21-29(22-24-33)28-9-3-1-4-10-28/h1-27H
InChIKeyNRFCXLMGKXEVHW-UHFFFAOYSA-N
MW615.57 g/mol
LogP11.24
Rot. Bonds6

About 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine

4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (PubChem CID 155758012) has the molecular formula C40H27BrN2 and a molecular weight of 615.57 g/mol. Its IUPAC name is 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
PubChem CID155758012
Molecular FormulaC40H27BrN2
Molecular Weight615.57 g/mol
Exact Mass614.14
IUPAC Name4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
SMILESBrc1cccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)c1
InChIInChI=1S/C40H27BrN2/c41-37-16-8-14-35(26-37)31-19-17-30(18-20-31)34-13-7-15-36(25-34)39-27-38(32-11-5-2-6-12-32)42-40(43-39)33-23-21-29(22-24-33)28-9-3-1-4-10-28/h1-27H
InChIKeyNRFCXLMGKXEVHW-UHFFFAOYSA-N
XLogP11.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.57
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
4-(4-bromophenyl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 166009976
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;bis(2,4-diphenyl-6-[4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine)
CID 163726860
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2-[4-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121258095

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine (CID 155758012) is 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is Brc1cccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)c1.
What is the InChIKey of 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
The InChIKey is NRFCXLMGKXEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27BrN2/c41-37-16-8-14-35(26-37)31-19-17-30(18-20-31)34-13-7-15-36(25-34)39-27-38(32-11-5-2-6-12-32)42-40(43-39)33-23-21-29(22-24-33)28-9-3-1-4-10-28/h1-27H.
What are the key properties of 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine?
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine has a molecular weight of 615.57 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 155758012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).