2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine

C25H16Br2N2 — CID 90268709

IUPAC2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine
SMILESBrc1cccc(C2(c3cccc(Br)n3)c3ccccc3C=Cc3ccccc32)n1
InChIInChI=1S/C25H16Br2N2/c26-23-13-5-11-21(28-23)25(22-12-6-14-24(27)29-22)19-9-3-1-7-17(19)15-16-18-8-2-4-10-20(18)25/h1-16H
InChIKeyZWSOGSJXTASBHQ-UHFFFAOYSA-N
MW504.23 g/mol
LogP6.87
Rot. Bonds2

About 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine

2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine (PubChem CID 90268709) has the molecular formula C25H16Br2N2 and a molecular weight of 504.23 g/mol. Its IUPAC name is 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine
PubChem CID90268709
Molecular FormulaC25H16Br2N2
Molecular Weight504.23 g/mol
Exact Mass501.97
IUPAC Name2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine
SMILESBrc1cccc(C2(c3cccc(Br)n3)c3ccccc3C=Cc3ccccc32)n1
InChIInChI=1S/C25H16Br2N2/c26-23-13-5-11-21(28-23)25(22-12-6-14-24(27)29-22)19-9-3-1-7-17(19)15-16-18-8-2-4-10-20(18)25/h1-16H
InChIKeyZWSOGSJXTASBHQ-UHFFFAOYSA-N
XLogP6.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.23
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;2-bromo-6-[10-(6-bromo-2-pyridinyl)-5-phenylacridophosphin-10-yl]pyridine
CID 157232853
9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
CID 123742097
9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
CID 121295185
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880
1-(6-bromo-2-pyridinyl)cyclopropan-1-amine;fluoromethane
CID 143811947
2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
CID 166511751
2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
CID 140758618
2-(6-bromo-2-pyridinyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 154704675
10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
CID 134194197
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine?
The IUPAC name of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine (CID 90268709) is 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine.
What is the SMILES notation for 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine?
The canonical SMILES for 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine is Brc1cccc(C2(c3cccc(Br)n3)c3ccccc3C=Cc3ccccc32)n1.
What is the InChIKey of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine?
The InChIKey is ZWSOGSJXTASBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2N2/c26-23-13-5-11-21(28-23)25(22-12-6-14-24(27)29-22)19-9-3-1-7-17(19)15-16-18-8-2-4-10-20(18)25/h1-16H.
What are the key properties of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine?
2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine has a molecular weight of 504.23 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(6-bromo-2-pyridinyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]pyridine is sourced from PubChem (CID 90268709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).