[3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane

C70H56N6Si — CID 177133095

About [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane

[3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane (PubChem CID 177133095) has the molecular formula C70H56N6Si and a molecular weight of 1009.35 g/mol. Its IUPAC name is [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane.

Molecular Properties

• Compound Name: [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane
• PubChem CID: 177133095
• Molecular Formula: C70H56N6Si
• Molecular Weight: 1009.35 g/mol
• Exact Mass: 1008.43
• IUPAC Name: [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane
• SMILES: CC12CCCCC1(C)N(c1nc(-c3cccc([Si](c4cccc(-c5ccccc5)c4)(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)n4)c3)nc(-n3c4ccccc4c4ccccc43)n1)c1ccccc12
• InChI: InChI=1S/C70H56N6Si/c1-69-44-18-19-45-70(69,2)76(64-42-17-14-38-60(64)69)68-73-66(72-67(74-68)75-62-40-15-12-36-58(62)59-37-13-16-41-63(59)75)54-32-22-35-57(48-54)77(55-33-20-30-52(46-55)49-24-6-3-7-25-49,56-34-21-31-53(47-56)50-26-8-4-9-27-50)65-43-23-39-61(71-65)51-28-10-5-11-29-51/h3-17,20-43,46-48H,18-19,44-45H2,1-2H3
• InChIKey: VIHJMSBHOJAGQN-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.35
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane?

The IUPAC name of [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane (CID 177133095) is [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane.

What is the SMILES notation for [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane?

The canonical SMILES for [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane is CC12CCCCC1(C)N(c1nc(-c3cccc([Si](c4cccc(-c5ccccc5)c4)(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccccc5)n4)c3)nc(-n3c4ccccc4c4ccccc43)n1)c1ccccc12.

What is the InChIKey of [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane?

The InChIKey is VIHJMSBHOJAGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N6Si/c1-69-44-18-19-45-70(69,2)76(64-42-17-14-38-60(64)69)68-73-66(72-67(74-68)75-62-40-15-12-36-58(62)59-37-13-16-41-63(59)75)54-32-22-35-57(48-54)77(55-33-20-30-52(46-55)49-24-6-3-7-25-49,56-34-21-31-53(47-56)50-26-8-4-9-27-50)65-43-23-39-61(71-65)51-28-10-5-11-29-51/h3-17,20-43,46-48H,18-19,44-45H2,1-2H3.

What are the key properties of [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane?

[3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane has a molecular weight of 1009.35 g/mol, XLogP of 14.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]phenyl]-bis(3-phenylphenyl)-(6-phenyl-2-pyridinyl)silane is sourced from PubChem (CID 177133095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).