CID 59246251

C78H71F2N2Si2 — CID 59246251

IUPAC—
SMILESC[Si](C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(F)cc8)c8ccc([Si](C)(C)C)cc8)ccc6-7)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C78H71F2N2Si2/c1-76(2)70-44-50(12-14-52-18-40-66-68-42-32-60(48-74(68)77(3,4)72(66)46-52)81(56-24-20-54(79)21-25-56)58-28-34-62(35-29-58)83(7)8)16-38-64(70)65-39-17-51(45-71(65)76)13-15-53-19-41-67-69-43-33-61(49-75(69)78(5,6)73(67)47-53)82(57-26-22-55(80)23-27-57)59-30-36-63(37-31-59)84(9,10)11/h12-49H,1-11H3/b14-12+,15-13+
InChIKeyLLKMELDLKCUDER-QUMQEAAQSA-N
MW1130.61 g/mol
LogP20.67
Rot. Bonds12

About CID 59246251

CID 59246251 (PubChem CID 59246251) has the molecular formula C78H71F2N2Si2 and a molecular weight of 1130.61 g/mol.

Molecular Properties

Compound NameCID 59246251
PubChem CID59246251
Molecular FormulaC78H71F2N2Si2
Molecular Weight1130.61 g/mol
Exact Mass1129.51
IUPAC Name—
SMILESC[Si](C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(F)cc8)c8ccc([Si](C)(C)C)cc8)ccc6-7)ccc4-5)ccc2-3)cc1
InChIInChI=1S/C78H71F2N2Si2/c1-76(2)70-44-50(12-14-52-18-40-66-68-42-32-60(48-74(68)77(3,4)72(66)46-52)81(56-24-20-54(79)21-25-56)58-28-34-62(35-29-58)83(7)8)16-38-64(70)65-39-17-51(45-71(65)76)13-15-53-19-41-67-69-43-33-61(49-75(69)78(5,6)73(67)47-53)82(57-26-22-55(80)23-27-57)59-30-36-63(37-31-59)84(9,10)11/h12-49H,1-11H3/b14-12+,15-13+
InChIKeyLLKMELDLKCUDER-QUMQEAAQSA-N
XLogP20.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.61
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(N-pyridin-4-yl-4-trimethylsilylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-trimethylsilylphenyl)pyridin-4-amine
CID 59245955
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
9,9-dimethyl-7-[(E)-2-phenylethenyl]-N,N-bis[4-[(E)-2-(4-trimethylsilylphenyl)ethenyl]phenyl]fluoren-2-amine;7-[(E)-2-phenylethenyl]-N,N-bis[4-[(E)-2-phenylethenyl]phenyl]phenanthren-2-amine;4-[(E)-2-phenylethenyl]-N,N-bis[4-[4-[(E)-2-phenylethenyl]phenyl]phenyl]aniline
CID 160924948
7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
9,9-diethyl-N-phenyl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-N-(4-trimethylsilylphenyl)fluoren-2-amine
CID 58444639
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429
N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
CID 59245940

Frequently Asked Questions

What is the IUPAC name of CID 59246251?
The IUPAC name of CID 59246251 (CID 59246251) is not available.
What is the SMILES notation for CID 59246251?
The canonical SMILES for CID 59246251 is C[Si](C)c1ccc(N(c2ccc(F)cc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(/C=C/c6ccc7c(c6)C(C)(C)c6cc(N(c8ccc(F)cc8)c8ccc([Si](C)(C)C)cc8)ccc6-7)ccc4-5)ccc2-3)cc1.
What is the InChIKey of CID 59246251?
The InChIKey is LLKMELDLKCUDER-QUMQEAAQSA-N. The full InChI is InChI=1S/C78H71F2N2Si2/c1-76(2)70-44-50(12-14-52-18-40-66-68-42-32-60(48-74(68)77(3,4)72(66)46-52)81(56-24-20-54(79)21-25-56)58-28-34-62(35-29-58)83(7)8)16-38-64(70)65-39-17-51(45-71(65)76)13-15-53-19-41-67-69-43-33-61(49-75(69)78(5,6)73(67)47-53)82(57-26-22-55(80)23-27-57)59-30-36-63(37-31-59)84(9,10)11/h12-49H,1-11H3/b14-12+,15-13+.
What are the key properties of CID 59246251?
CID 59246251 has a molecular weight of 1130.61 g/mol, XLogP of 20.67, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59246251 is sourced from PubChem (CID 59246251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).