1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine

C46H31F2N5Si — CID 163900954

IUPAC1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine
SMILESC[Si]1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2ccnc(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)c21
InChIInChI=1S/C46H31F2N5Si/c1-54(2)41-23-22-34(53-39-12-5-3-10-35(39)36-11-4-6-13-40(36)53)27-38(41)37-24-25-49-42(43(37)54)30-8-7-9-31(26-30)46-51-44(28-14-18-32(47)19-15-28)50-45(52-46)29-16-20-33(48)21-17-29/h3-27H,1-2H3
InChIKeyQJVBARFCYRATNV-UHFFFAOYSA-N
MW719.87 g/mol
LogP10.11
Rot. Bonds5

About 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine

1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine (PubChem CID 163900954) has the molecular formula C46H31F2N5Si and a molecular weight of 719.87 g/mol. Its IUPAC name is 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine
PubChem CID163900954
Molecular FormulaC46H31F2N5Si
Molecular Weight719.87 g/mol
Exact Mass719.23
IUPAC Name1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine
SMILESC[Si]1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2ccnc(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)c21
InChIInChI=1S/C46H31F2N5Si/c1-54(2)41-23-22-34(53-39-12-5-3-10-35(39)36-11-4-6-13-40(36)53)27-38(41)37-24-25-49-42(43(37)54)30-8-7-9-31(26-30)46-51-44(28-14-18-32(47)19-15-28)50-45(52-46)29-16-20-33(48)21-17-29/h3-27H,1-2H3
InChIKeyQJVBARFCYRATNV-UHFFFAOYSA-N
XLogP10.11
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.87
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine?
The IUPAC name of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine (CID 163900954) is 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine?
The canonical SMILES for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine is C[Si]1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2ccnc(-c3cccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc(F)cc5)n4)c3)c21.
What is the InChIKey of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine?
The InChIKey is QJVBARFCYRATNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31F2N5Si/c1-54(2)41-23-22-34(53-39-12-5-3-10-35(39)36-11-4-6-13-40(36)53)27-38(41)37-24-25-49-42(43(37)54)30-8-7-9-31(26-30)46-51-44(28-14-18-32(47)19-15-28)50-45(52-46)29-16-20-33(48)21-17-29/h3-27H,1-2H3.
What are the key properties of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine?
1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine has a molecular weight of 719.87 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-6-carbazol-9-yl-9,9-dimethyl-[1]benzosilolo[2,3-c]pyridine is sourced from PubChem (CID 163900954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).