6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C46H41N5OSi — CID 168720951

IUPAC6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3cnc(Oc4cnc5c(c4)-c4nccc(C(C)(C)C)c4[Si]5(c4ccccc4)c4ccccc4)cc32)c1
InChIInChI=1S/C46H41N5OSi/c1-45(2,3)30-21-23-47-40(25-30)51-38-20-14-13-19-34(38)36-29-49-41(27-39(36)51)52-31-26-35-42-43(37(22-24-48-42)46(4,5)6)53(44(35)50-28-31,32-15-9-7-10-16-32)33-17-11-8-12-18-33/h7-29H,1-6H3
InChIKeyAYUDOOSKFQISGU-UHFFFAOYSA-N
MW707.95 g/mol
LogP8.11
Rot. Bonds5

About 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 168720951) has the molecular formula C46H41N5OSi and a molecular weight of 707.95 g/mol. Its IUPAC name is 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID168720951
Molecular FormulaC46H41N5OSi
Molecular Weight707.95 g/mol
Exact Mass707.31
IUPAC Name6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3cnc(Oc4cnc5c(c4)-c4nccc(C(C)(C)C)c4[Si]5(c4ccccc4)c4ccccc4)cc32)c1
InChIInChI=1S/C46H41N5OSi/c1-45(2,3)30-21-23-47-40(25-30)51-38-20-14-13-19-34(38)36-29-49-41(27-39(36)51)52-31-26-35-42-43(37(22-24-48-42)46(4,5)6)53(44(35)50-28-31,32-15-9-7-10-16-32)33-17-11-8-12-18-33/h7-29H,1-6H3
InChIKeyAYUDOOSKFQISGU-UHFFFAOYSA-N
XLogP8.11
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.95
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
9-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-6-methylimidazo[1,2-c][2,1,3]benzothiadiazine 5,5-dioxide
CID 155616144
4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)
CID 168721112
4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
CID 155649959
5-[4-(2-methylpropyl)-2-pyridinyl]-3-[5-[4-(2-methylpropyl)-2-pyridinyl]pyrido[4,3-b]indol-3-yl]oxypyrido[4,3-b]indole
CID 140906121
5-(4-tert-butyl-2-pyridinyl)-3-[3-tert-butyl-5-[3-[3,4,5-trideuterio-2,6-bis[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]benzimidazole-1,3-diium-1-yl]phenoxy]pyrido[4,3-b]indole
CID 157468558
CID 171436483
CID 171436483
9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
CID 169289244
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2-pyridinyl)carbazol-9-yl]carbazole
CID 161155623

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 168720951) is 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is CC(C)(C)c1ccnc(-n2c3ccccc3c3cnc(Oc4cnc5c(c4)-c4nccc(C(C)(C)C)c4[Si]5(c4ccccc4)c4ccccc4)cc32)c1.
What is the InChIKey of 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is AYUDOOSKFQISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N5OSi/c1-45(2,3)30-21-23-47-40(25-30)51-38-20-14-13-19-34(38)36-29-49-41(27-39(36)51)52-31-26-35-42-43(37(22-24-48-42)46(4,5)6)53(44(35)50-28-31,32-15-9-7-10-16-32)33-17-11-8-12-18-33/h7-29H,1-6H3.
What are the key properties of 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 707.95 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 168720951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).