[9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane

C60H68N2Si2 — CID 123798315

IUPAC[9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane
SMILESCC12CCCCC1(C)N(c1ccc3c(-c4ccccc4)c4cc(N5c6ccc([Si](C)(C)C)cc6C6(C)CCCCC56C)ccc4c(-c4ccccc4)c3c1)c1ccc([Si](C)(C)C)cc12
InChIInChI=1S/C60H68N2Si2/c1-57-33-17-19-35-59(57,3)61(53-31-27-45(39-51(53)57)63(5,6)7)43-25-29-47-49(37-43)55(41-21-13-11-14-22-41)48-30-26-44(38-50(48)56(47)42-23-15-12-16-24-42)62-54-32-28-46(64(8,9)10)40-52(54)58(2)34-18-20-36-60(58,62)4/h11-16,21-32,37-40H,17-20,33-36H2,1-10H3
InChIKeyNXIWFKICXRZXDA-UHFFFAOYSA-N
MW873.39 g/mol
LogP15.90
Rot. Bonds6

About [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane

[9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane (PubChem CID 123798315) has the molecular formula C60H68N2Si2 and a molecular weight of 873.39 g/mol. Its IUPAC name is [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane
PubChem CID123798315
Molecular FormulaC60H68N2Si2
Molecular Weight873.39 g/mol
Exact Mass872.49
IUPAC Name[9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane
SMILESCC12CCCCC1(C)N(c1ccc3c(-c4ccccc4)c4cc(N5c6ccc([Si](C)(C)C)cc6C6(C)CCCCC56C)ccc4c(-c4ccccc4)c3c1)c1ccc([Si](C)(C)C)cc12
InChIInChI=1S/C60H68N2Si2/c1-57-33-17-19-35-59(57,3)61(53-31-27-45(39-51(53)57)63(5,6)7)43-25-29-47-49(37-43)55(41-21-13-11-14-22-41)48-30-26-44(38-50(48)56(47)42-23-15-12-16-24-42)62-54-32-28-46(64(8,9)10)40-52(54)58(2)34-18-20-36-60(58,62)4/h11-16,21-32,37-40H,17-20,33-36H2,1-10H3
InChIKeyNXIWFKICXRZXDA-UHFFFAOYSA-N
XLogP15.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.39
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane?
The IUPAC name of [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane (CID 123798315) is [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane.
What is the SMILES notation for [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane?
The canonical SMILES for [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane is CC12CCCCC1(C)N(c1ccc3c(-c4ccccc4)c4cc(N5c6ccc([Si](C)(C)C)cc6C6(C)CCCCC56C)ccc4c(-c4ccccc4)c3c1)c1ccc([Si](C)(C)C)cc12.
What is the InChIKey of [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane?
The InChIKey is NXIWFKICXRZXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68N2Si2/c1-57-33-17-19-35-59(57,3)61(53-31-27-45(39-51(53)57)63(5,6)7)43-25-29-47-49(37-43)55(41-21-13-11-14-22-41)48-30-26-44(38-50(48)56(47)42-23-15-12-16-24-42)62-54-32-28-46(64(8,9)10)40-52(54)58(2)34-18-20-36-60(58,62)4/h11-16,21-32,37-40H,17-20,33-36H2,1-10H3.
What are the key properties of [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane?
[9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane has a molecular weight of 873.39 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[6-(4a,9a-dimethyl-6-trimethylsilyl-1,2,3,4-tetrahydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]-4b,8a-dimethyl-5,6,7,8-tetrahydrocarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 123798315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).