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

C29H18Br2N2 — CID 89409708

IUPAC2-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
SMILESBrc1cccc(C2(c3cccc(Br)n3)c3ccccc3-c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C29H18Br2N2/c30-27-17-7-15-25(32-27)29(26-16-8-18-28(31)33-26)23-13-5-3-11-21(23)19-9-1-2-10-20(19)22-12-4-6-14-24(22)29/h1-18H
InChIKeySPKRNYIKFRVBIE-UHFFFAOYSA-N
MW554.29 g/mol
LogP8.03
Rot. Bonds2

About 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

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 (PubChem CID 89409708) has the molecular formula C29H18Br2N2 and a molecular weight of 554.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID89409708
Molecular FormulaC29H18Br2N2
Molecular Weight554.29 g/mol
Exact Mass551.98
IUPAC Name2-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
SMILESBrc1cccc(C2(c3cccc(Br)n3)c3ccccc3-c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C29H18Br2N2/c30-27-17-7-15-25(32-27)29(26-16-8-18-28(31)33-26)23-13-5-3-11-21(23)19-9-1-2-10-20(19)22-12-4-6-14-24(22)29/h1-18H
InChIKeySPKRNYIKFRVBIE-UHFFFAOYSA-N
XLogP8.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.29
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
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
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
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
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
9-(6-bromo-2-pyridinyl)-9-(6-methyl-2-pyridinyl)-10-(2,4,6-trimethylphenyl)acridine
CID 123742097
2-bromo-6-[9-(3-bromophenyl)-2,7-ditert-butylfluoren-9-yl]pyridine
CID 166511751
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
CID 58036621
CID 58036621
9,10-bis(6-bromo-2-pyridinyl)-2-phenylanthracene-9,10-diol
CID 121295185
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785
9,9-dinaphthalen-1-ylfluorene
CID 140680296

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cccc(C2(c3cccc(Br)n3)c3ccccc3-c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 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?
The InChIKey is SPKRNYIKFRVBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18Br2N2/c30-27-17-7-15-25(32-27)29(26-16-8-18-28(31)33-26)23-13-5-3-11-21(23)19-9-1-2-10-20(19)22-12-4-6-14-24(22)29/h1-18H.
What are the key properties of 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?
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 has a molecular weight of 554.29 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89409708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).