(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

C62H42N4OSi2 — CID 140954765

IUPAC(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)N(c2ccccn2)c2cc4oc5ccccc5c4cc2[Si]3(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C62H42N4OSi2/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-15-29-54(50)65-38-37-64-62(65)53(49)39-47)48-33-35-59-55(40-48)66(61-31-17-18-36-63-61)56-42-58-52(51-28-14-16-30-57(51)67-58)41-60(56)69(59,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-42H
InChIKeyKKWYIQVGJPVUME-UHFFFAOYSA-N
MW915.22 g/mol
LogP9.47
Rot. Bonds7

About (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (PubChem CID 140954765) has the molecular formula C62H42N4OSi2 and a molecular weight of 915.22 g/mol. Its IUPAC name is (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

Molecular Properties

Compound Name(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
PubChem CID140954765
Molecular FormulaC62H42N4OSi2
Molecular Weight915.22 g/mol
Exact Mass914.29
IUPAC Name(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)N(c2ccccn2)c2cc4oc5ccccc5c4cc2[Si]3(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C62H42N4OSi2/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-15-29-54(50)65-38-37-64-62(65)53(49)39-47)48-33-35-59-55(40-48)66(61-31-17-18-36-63-61)56-42-58-52(51-28-14-16-30-57(51)67-58)41-60(56)69(59,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-42H
InChIKeyKKWYIQVGJPVUME-UHFFFAOYSA-N
XLogP9.47
TPSA46.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.22
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane with MolForge

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Related Compounds

[3-(14,14-diphenyl-9-oxa-19,21-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-21-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140953288
(5,5-dimethyl-13-pyridin-2-yl-[1]benzofuro[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140954445
(13,13-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[3,2-a]carbazol-10-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955845
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane
CID 140953410
17-imidazo[1,2-f]phenanthridin-11-yloxy-21,21-diphenyl-14-pyridin-2-yl-10-thia-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 140955732
18-imidazo[1,2-f]phenanthridin-11-yloxy-14,14-diphenyl-21-pyridin-2-yl-10-thia-21-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 140953592
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(14,14,21-triphenyl-7,9,21-triaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140953699
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(3,21,21-triphenyl-3,12,14-triaza-21-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,4,6,8,10,12,15,17,19-nonaen-14-yl)phenyl]silane
CID 140951786
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
CID 140954071
18-imidazo[1,2-f]phenanthridin-11-yloxy-14,14-diphenyl-21-pyridin-2-yl-3-thia-21-aza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaene
CID 140952638
9-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
CID 140954604
[3-(14,14-diphenyl-21-thia-3,5-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaen-3-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955578

Frequently Asked Questions

What is the IUPAC name of (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
The IUPAC name of (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (CID 140954765) is (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.
What is the SMILES notation for (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
The canonical SMILES for (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)N(c2ccccn2)c2cc4oc5ccccc5c4cc2[Si]3(c2ccccc2)c2ccccc2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1.
What is the InChIKey of (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
The InChIKey is KKWYIQVGJPVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4OSi2/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-15-29-54(50)65-38-37-64-62(65)53(49)39-47)48-33-35-59-55(40-48)66(61-31-17-18-36-63-61)56-42-58-52(51-28-14-16-30-57(51)67-58)41-60(56)69(59,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h1-42H.
What are the key properties of (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?
(21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane has a molecular weight of 915.22 g/mol, XLogP of 9.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (21,21-diphenyl-14-pyridin-2-yl-10-oxa-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is sourced from PubChem (CID 140954765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).