4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine

C42H27BrN2 — CID 142737673

IUPAC4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C42H27BrN2/c43-39-26-25-37(35-17-9-10-18-38(35)39)36-24-23-32(33-15-7-8-16-34(33)36)28-19-21-30(22-20-28)41-27-40(29-11-3-1-4-12-29)44-42(45-41)31-13-5-2-6-14-31/h1-27H
InChIKeyYJGCCRHKOAZMRF-UHFFFAOYSA-N
MW639.60 g/mol
LogP11.88
Rot. Bonds5

About 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine

4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 142737673) has the molecular formula C42H27BrN2 and a molecular weight of 639.60 g/mol. Its IUPAC name is 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
PubChem CID142737673
Molecular FormulaC42H27BrN2
Molecular Weight639.60 g/mol
Exact Mass638.14
IUPAC Name4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C42H27BrN2/c43-39-26-25-37(35-17-9-10-18-38(35)39)36-24-23-32(33-15-7-8-16-34(33)36)28-19-21-30(22-20-28)41-27-40(29-11-3-1-4-12-29)44-42(45-41)31-13-5-2-6-14-31/h1-27H
InChIKeyYJGCCRHKOAZMRF-UHFFFAOYSA-N
XLogP11.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.60
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-4,6-diphenylpyrimidine
CID 609721
(2-Bromo-4-isopropyl-phenyl)-ethyl-(4-methyl-6-naphthalen-1-yl-pyrimidin-2-yl)-amine
CID 44266496
4-(4-Bromophenyl)-2,6-diphenylpyrimidine
CID 1714899
4-(3,5-Dibromophenyl)-2,6-diphenylpyrimidine
CID 23139721
2-(3-Bromophenyl)-4,6-diphenylpyrimidine
CID 58943181
4-(3-Bromophenyl)-2,6-diphenylpyrimidine
CID 58943285
4-(Biphenyl-4-yl)-6-(4-bromophenyl)-2-phenylpyrimidine
CID 89992073
2-(3-Bromophenyl)benzo[h]quinazolin-4-amine;hydrochloride
CID 177650258
2-(4-Bromophenyl)benzo[h]quinazolin-4-amine;hydrochloride
CID 177653342
2,4,6-Tris(4-bromophenyl)pyrimidine
CID 635902
2-(4-Bromophenyl)-4-fluoro-6-(4-methylphenyl)pyrimidine
CID 154722559
Quinazoline, 2-(4-bromophenyl)-4-phenyl-
CID 11325886

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine (CID 142737673) is 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine is Brc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is YJGCCRHKOAZMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27BrN2/c43-39-26-25-37(35-17-9-10-18-38(35)39)36-24-23-32(33-15-7-8-16-34(33)36)28-19-21-30(22-20-28)41-27-40(29-11-3-1-4-12-29)44-42(45-41)31-13-5-2-6-14-31/h1-27H.
What are the key properties of 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 639.60 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 142737673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).