2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline

C26H17Br2N3 — CID 156577333

IUPAC2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(Br)nc(Br)nc5c4n3)cc21
InChIInChI=1S/C26H17Br2N3/c1-26(2)19-6-4-3-5-16(19)17-10-8-15(13-20(17)26)21-12-9-14-7-11-18-23(22(14)29-21)30-25(28)31-24(18)27/h3-13H,1-2H3
InChIKeyJJQCYESAGCHQNM-UHFFFAOYSA-N
MW531.25 g/mol
LogP7.68
Rot. Bonds1

About 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline

2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline (PubChem CID 156577333) has the molecular formula C26H17Br2N3 and a molecular weight of 531.25 g/mol. Its IUPAC name is 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline
PubChem CID156577333
Molecular FormulaC26H17Br2N3
Molecular Weight531.25 g/mol
Exact Mass528.98
IUPAC Name2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(Br)nc(Br)nc5c4n3)cc21
InChIInChI=1S/C26H17Br2N3/c1-26(2)19-6-4-3-5-16(19)17-10-8-15(13-20(17)26)21-12-9-14-7-11-18-23(22(14)29-21)30-25(28)31-24(18)27/h3-13H,1-2H3
InChIKeyJJQCYESAGCHQNM-UHFFFAOYSA-N
XLogP7.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.25
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574290
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;6,12-dinaphthalen-2-ylchrysene
CID 160803999
2-(9,9-dimethylfluoren-2-yl)-9-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167401
2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline
CID 134167303
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 134167658
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-(9,9-dimethylfluoren-2-yl)-9-[4-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)phenyl]-1,10-phenanthroline
CID 90050169
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline?
The IUPAC name of 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline (CID 156577333) is 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline.
What is the SMILES notation for 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline?
The canonical SMILES for 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5c(Br)nc(Br)nc5c4n3)cc21.
What is the InChIKey of 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline?
The InChIKey is JJQCYESAGCHQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br2N3/c1-26(2)19-6-4-3-5-16(19)17-10-8-15(13-20(17)26)21-12-9-14-7-11-18-23(22(14)29-21)30-25(28)31-24(18)27/h3-13H,1-2H3.
What are the key properties of 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline?
2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline has a molecular weight of 531.25 g/mol, XLogP of 7.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline is sourced from PubChem (CID 156577333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).