7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine

C54H32Br2N6 — CID 157089840

IUPAC7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine
SMILESBrc1cccc(-c2nc(-c3ccc4ccccc4c3)c3ncc(-c4cc(Br)cc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ncccc6n5)c4)cc3n2)c1
InChIInChI=1S/C54H32Br2N6/c55-45-18-9-17-38(28-45)53-60-48-31-44(32-58-52(48)49(61-53)37-21-20-35-15-7-8-16-36(35)23-37)41-27-43(30-46(56)29-41)54-59-47-19-10-22-57-51(47)50(62-54)42-25-39(33-11-3-1-4-12-33)24-40(26-42)34-13-5-2-6-14-34/h1-32H
InChIKeyAENNVODODVZXQG-UHFFFAOYSA-N
MW924.70 g/mol
LogP14.71
Rot. Bonds7

About 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine

7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine (PubChem CID 157089840) has the molecular formula C54H32Br2N6 and a molecular weight of 924.70 g/mol. Its IUPAC name is 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine
PubChem CID157089840
Molecular FormulaC54H32Br2N6
Molecular Weight924.70 g/mol
Exact Mass922.11
IUPAC Name7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine
SMILESBrc1cccc(-c2nc(-c3ccc4ccccc4c3)c3ncc(-c4cc(Br)cc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ncccc6n5)c4)cc3n2)c1
InChIInChI=1S/C54H32Br2N6/c55-45-18-9-17-38(28-45)53-60-48-31-44(32-58-52(48)49(61-53)37-21-20-35-15-7-8-16-36(35)23-37)41-27-43(30-46(56)29-41)54-59-47-19-10-22-57-51(47)50(62-54)42-25-39(33-11-3-1-4-12-33)24-40(26-42)34-13-5-2-6-14-34/h1-32H
InChIKeyAENNVODODVZXQG-UHFFFAOYSA-N
XLogP14.71
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.70
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine with MolForge

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Related Compounds

5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
4-[(Benzyl)(4-pyridyl)amino]-2-(5-bromo-2-fluorophenyl)pteridine
CID 44432067
7-Bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
CID 2544769
2-(5-Bromo-2-fluorophenyl)-4-[(methyl)(4-pyridyl)amino]pteridine
CID 44432065
4-[(Butyl)(4-pyridyl)amino]-2-(5-bromo-2-fluorophenyl)pteridine
CID 44432066
2-(5-Bromo-2-fluorophenyl)-4-[(phenethyl)(4-pyridyl)amino]-pteridine
CID 44432069
2,3-Bis(3-bromophenyl)pyrido[2,3-b]pyrazine
CID 1714677
6-(Phenanthren-9-ylmethyl)pteridine-2,4-diamine
CID 44281331
2-(5-Bromo-2-fluorophenyl)-4-[4-(2-pyridyl)piperazin-1-yl]pteridine
CID 57742378
5-(3-Bromophenyl)-7-[6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
CID 70303352
5-[4-[4-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9-fluorobenzo[b][1,10]phenanthroline
CID 137472732

Frequently Asked Questions

What is the IUPAC name of 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine?
The IUPAC name of 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine (CID 157089840) is 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine is Brc1cccc(-c2nc(-c3ccc4ccccc4c3)c3ncc(-c4cc(Br)cc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6ncccc6n5)c4)cc3n2)c1.
What is the InChIKey of 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine?
The InChIKey is AENNVODODVZXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32Br2N6/c55-45-18-9-17-38(28-45)53-60-48-31-44(32-58-52(48)49(61-53)37-21-20-35-15-7-8-16-36(35)23-37)41-27-43(30-46(56)29-41)54-59-47-19-10-22-57-51(47)50(62-54)42-25-39(33-11-3-1-4-12-33)24-40(26-42)34-13-5-2-6-14-34/h1-32H.
What are the key properties of 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine?
7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine has a molecular weight of 924.70 g/mol, XLogP of 14.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-bromo-5-[4-(3,5-diphenylphenyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-2-(3-bromophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 157089840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).