2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine

C53H54Br2N2 — CID 58813976

IUPAC2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine
SMILESCc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1/C=C/c1cc2c(cc1Br)Cc1cc(Br)c(/C=C/c3c(C)cc(-c4nc(C)c(C)c(C)c4C)c(C)c3C)cc1-2
InChIInChI=1S/C53H54Br2N2/c1-26-19-46(52-36(11)28(3)30(5)38(13)56-52)34(9)32(7)44(26)17-15-40-22-48-42(24-50(40)54)21-43-25-51(55)41(23-49(43)48)16-18-45-27(2)20-47(35(10)33(45)8)53-37(12)29(4)31(6)39(14)57-53/h15-20,22-25H,21H2,1-14H3/b17-15+,18-16+
InChIKeyPXGNPPCICMZPFB-YTEMWHBBSA-N
MW878.84 g/mol
LogP15.57
Rot. Bonds6

About 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine

2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine (PubChem CID 58813976) has the molecular formula C53H54Br2N2 and a molecular weight of 878.84 g/mol. Its IUPAC name is 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine.

Molecular Properties

Compound Name2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine
PubChem CID58813976
Molecular FormulaC53H54Br2N2
Molecular Weight878.84 g/mol
Exact Mass876.27
IUPAC Name2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine
SMILESCc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1/C=C/c1cc2c(cc1Br)Cc1cc(Br)c(/C=C/c3c(C)cc(-c4nc(C)c(C)c(C)c4C)c(C)c3C)cc1-2
InChIInChI=1S/C53H54Br2N2/c1-26-19-46(52-36(11)28(3)30(5)38(13)56-52)34(9)32(7)44(26)17-15-40-22-48-42(24-50(40)54)21-43-25-51(55)41(23-49(43)48)16-18-45-27(2)20-47(35(10)33(45)8)53-37(12)29(4)31(6)39(14)57-53/h15-20,22-25H,21H2,1-14H3/b17-15+,18-16+
InChIKeyPXGNPPCICMZPFB-YTEMWHBBSA-N
XLogP15.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.84
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine with MolForge

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Related Compounds

4-[2',7'-Dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
CID 139183206
2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine
CID 135247145
2-[5-(3-Bromophenyl)-2,4-difluorophenyl]-6-(2,7-ditert-butyl-9-phenylfluoren-9-yl)pyridine
CID 166050839
8-Bromo-6-phenyl-5-azabenzo[f]fluoranthene
CID 12908002
3,4-Bis(4-bromophenyl)-1,6-dimethylisoquinoline
CID 138975143
7-Bromo-1,6-dimethyl-3,4-diphenylisoquinoline
CID 138975287
2,4-Bis(4-bromophenyl)-6-[(4-bromophenyl)methyl]pyridine
CID 139186376
ZINC 2,18-bis(6-bromo-9,9-dipentylfluoren-3-yl)-5,10,15-tris(3,5-ditert-butylphenyl)porphyrin-22,24-diide
CID 139260819
10,10'-Dibromo-2,2'-di(pyridin-2-yl)-9,9'-bianthryl
CID 172433031
2-(3-Bromo-2,4-difluorophenyl)-6-[[6-(2,3,4-trifluorophenyl)-2-pyridinyl]-(2,4,6-trimethylphenyl)methyl]pyridine
CID 58620921
2,6-Bis(4-methylphenyl)-3-[(4-bromophenyl)methyl]-4-phenylpyridine
CID 13545438
2-(3-Bromophenyl)-6-[6-(3-bromophenyl)-4-phenyl-2-pyridinyl]-4-phenylpyridine
CID 57548770

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine?
The IUPAC name of 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine (CID 58813976) is 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine.
What is the SMILES notation for 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine?
The canonical SMILES for 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine is Cc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1/C=C/c1cc2c(cc1Br)Cc1cc(Br)c(/C=C/c3c(C)cc(-c4nc(C)c(C)c(C)c4C)c(C)c3C)cc1-2.
What is the InChIKey of 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine?
The InChIKey is PXGNPPCICMZPFB-YTEMWHBBSA-N. The full InChI is InChI=1S/C53H54Br2N2/c1-26-19-46(52-36(11)28(3)30(5)38(13)56-52)34(9)32(7)44(26)17-15-40-22-48-42(24-50(40)54)21-43-25-51(55)41(23-49(43)48)16-18-45-27(2)20-47(35(10)33(45)8)53-37(12)29(4)31(6)39(14)57-53/h15-20,22-25H,21H2,1-14H3/b17-15+,18-16+.
What are the key properties of 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine?
2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine has a molecular weight of 878.84 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[2,7-dibromo-6-[(E)-2-[2,3,6-trimethyl-4-(3,4,5,6-tetramethyl-2-pyridinyl)phenyl]ethenyl]-9H-fluoren-3-yl]ethenyl]-2,3,5-trimethylphenyl]-3,4,5,6-tetramethylpyridine is sourced from PubChem (CID 58813976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).