14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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

C74H46N6O2Si2 — CID 153427028

IUPAC14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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
SMILESc1cncc([Si]2(c3cccnc3)c3ccccc3-c3cc4c(cc32)N(c2cc3c5ccccc5c(N5c6ccccc6Oc6cc7c(cc65)[Si](c5cccnc5)(c5cccnc5)c5ccccc5-7)cc3c3ccccc23)c2ccccc2O4)c1
InChIInChI=1S/C74H46N6O2Si2/c1-3-23-53-51(21-1)57-37-64(80-62-28-8-10-30-68(62)82-70-40-60-56-26-6-12-32-72(56)84(74(60)42-66(70)80,49-19-15-35-77-45-49)50-20-16-36-78-46-50)54-24-4-2-22-52(54)58(57)38-63(53)79-61-27-7-9-29-67(61)81-69-39-59-55-25-5-11-31-71(55)83(73(59)41-65(69)79,47-17-13-33-75-43-47)48-18-14-34-76-44-48/h1-46H
InChIKeyKMAJOHKUYJICHM-UHFFFAOYSA-N
MW1107.39 g/mol
LogP12.59
Rot. Bonds6

About 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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

14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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 (PubChem CID 153427028) has the molecular formula C74H46N6O2Si2 and a molecular weight of 1107.39 g/mol. Its IUPAC name is 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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.

Molecular Properties

Compound Name14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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
PubChem CID153427028
Molecular FormulaC74H46N6O2Si2
Molecular Weight1107.39 g/mol
Exact Mass1106.32
IUPAC Name14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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
SMILESc1cncc([Si]2(c3cccnc3)c3ccccc3-c3cc4c(cc32)N(c2cc3c5ccccc5c(N5c6ccccc6Oc6cc7c(cc65)[Si](c5cccnc5)(c5cccnc5)c5ccccc5-7)cc3c3ccccc23)c2ccccc2O4)c1
InChIInChI=1S/C74H46N6O2Si2/c1-3-23-53-51(21-1)57-37-64(80-62-28-8-10-30-68(62)82-70-40-60-56-26-6-12-32-72(56)84(74(60)42-66(70)80,49-19-15-35-77-45-49)50-20-16-36-78-46-50)54-24-4-2-22-52(54)58(57)38-63(53)79-61-27-7-9-29-67(61)81-69-39-59-55-25-5-11-31-71(55)83(73(59)41-65(69)79,47-17-13-33-75-43-47)48-18-14-34-76-44-48/h1-46H
InChIKeyKMAJOHKUYJICHM-UHFFFAOYSA-N
XLogP12.59
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.39
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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?
The IUPAC name of 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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 153427028) is 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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.
What is the SMILES notation for 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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?
The canonical SMILES for 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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 is c1cncc([Si]2(c3cccnc3)c3ccccc3-c3cc4c(cc32)N(c2cc3c5ccccc5c(N5c6ccccc6Oc6cc7c(cc65)[Si](c5cccnc5)(c5cccnc5)c5ccccc5-7)cc3c3ccccc23)c2ccccc2O4)c1.
What is the InChIKey of 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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?
The InChIKey is KMAJOHKUYJICHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N6O2Si2/c1-3-23-53-51(21-1)57-37-64(80-62-28-8-10-30-68(62)82-70-40-60-56-26-6-12-32-72(56)84(74(60)42-66(70)80,49-19-15-35-77-45-49)50-20-16-36-78-46-50)54-24-4-2-22-52(54)58(57)38-63(53)79-61-27-7-9-29-67(61)81-69-39-59-55-25-5-11-31-71(55)83(73(59)41-65(69)79,47-17-13-33-75-43-47)48-18-14-34-76-44-48/h1-46H.
What are the key properties of 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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?
14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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 has a molecular weight of 1107.39 g/mol, XLogP of 12.59, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[12-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)chrysen-6-yl]-10,10-dipyridin-3-yl-21-oxa-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 is sourced from PubChem (CID 153427028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).