14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C80H54N6Si2 — CID 153427012

IUPAC14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc(N5c6ccccc6N(c6ccncc6)c6cc7c(cc65)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc3c2)c2ccccc2N4c2ccncc2)cc1
InChIInChI=1S/C80H54N6Si2/c1-5-21-61(22-6-1)87(62-23-7-2-8-24-62)77-35-19-13-29-65(77)67-51-73-75(53-79(67)87)85(71-33-17-15-31-69(71)83(73)57-41-45-81-46-42-57)59-39-37-56-50-60(40-38-55(56)49-59)86-72-34-18-16-32-70(72)84(58-43-47-82-48-44-58)74-52-68-66-30-14-20-36-78(66)88(80(68)54-76(74)86,63-25-9-3-10-26-63)64-27-11-4-12-28-64/h1-54H
InChIKeyOXKMNJHQGBDMBJ-UHFFFAOYSA-N
MW1155.53 g/mol
LogP14.85
Rot. Bonds8

About 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153427012) has the molecular formula C80H54N6Si2 and a molecular weight of 1155.53 g/mol. Its IUPAC name is 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID153427012
Molecular FormulaC80H54N6Si2
Molecular Weight1155.53 g/mol
Exact Mass1154.39
IUPAC Name14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc(N5c6ccccc6N(c6ccncc6)c6cc7c(cc65)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc3c2)c2ccccc2N4c2ccncc2)cc1
InChIInChI=1S/C80H54N6Si2/c1-5-21-61(22-6-1)87(62-23-7-2-8-24-62)77-35-19-13-29-65(77)67-51-73-75(53-79(67)87)85(71-33-17-15-31-69(71)83(73)57-41-45-81-46-42-57)59-39-37-56-50-60(40-38-55(56)49-59)86-72-34-18-16-32-70(72)84(58-43-47-82-48-44-58)74-52-68-66-30-14-20-36-78(66)88(80(68)54-76(74)86,63-25-9-3-10-26-63)64-27-11-4-12-28-64/h1-54H
InChIKeyOXKMNJHQGBDMBJ-UHFFFAOYSA-N
XLogP14.85
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.53
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153440664
14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153440644
5-(19-spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]-5-yl-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaen-7-yl)spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 177421172
21-(3,5-dimethylphenyl)-14-[5-[10-(3,5-dimethylphenyl)phenazin-5-yl]naphthalen-1-yl]-10,10-bis(4-methylphenyl)-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153440641
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 160908481
5-[4-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-2-methylphenyl]-3-methylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140856445
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline
CID 123190786
12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
CID 140775315
18-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,15,21-tetraphenyl-15,21-diaza-5-sila-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22,24,26-dodecaene
CID 163682671
5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
CID 140886971
2,2,16,19-tetraphenyl-26-pyridin-3-yl-16,19,26-triaza-2-sila-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene
CID 165381495

Frequently Asked Questions

What is the IUPAC name of 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153427012) is 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc(N5c6ccccc6N(c6ccncc6)c6cc7c(cc65)[Si](c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc3c2)c2ccccc2N4c2ccncc2)cc1.
What is the InChIKey of 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is OXKMNJHQGBDMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N6Si2/c1-5-21-61(22-6-1)87(62-23-7-2-8-24-62)77-35-19-13-29-65(77)67-51-73-75(53-79(67)87)85(71-33-17-15-31-69(71)83(73)57-41-45-81-46-42-57)59-39-37-56-50-60(40-38-55(56)49-59)86-72-34-18-16-32-70(72)84(58-43-47-82-48-44-58)74-52-68-66-30-14-20-36-78(66)88(80(68)54-76(74)86,63-25-9-3-10-26-63)64-27-11-4-12-28-64/h1-54H.
What are the key properties of 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1155.53 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153427012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).