imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane

C50H32N4SSi — CID 140952139

IUPACimidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4cc5c(cc4c4cccnc43)sc3ccccc35)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C50H32N4SSi/c1-3-14-34(15-4-1)56(35-16-5-2-6-17-35,37-24-25-38-39-19-7-9-22-45(39)53-28-27-52-49(53)44(38)30-37)36-18-11-13-33(29-36)54-46-31-43-40-20-8-10-23-47(40)55-48(43)32-42(46)41-21-12-26-51-50(41)54/h1-32H
InChIKeySHHKTYCQHHQAEO-UHFFFAOYSA-N
MW748.99 g/mol
LogP9.88
Rot. Bonds5

About imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane (PubChem CID 140952139) has the molecular formula C50H32N4SSi and a molecular weight of 748.99 g/mol. Its IUPAC name is imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane.

Molecular Properties

Compound Nameimidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane
PubChem CID140952139
Molecular FormulaC50H32N4SSi
Molecular Weight748.99 g/mol
Exact Mass748.21
IUPAC Nameimidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3c4cc5c(cc4c4cccnc43)sc3ccccc35)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
InChIInChI=1S/C50H32N4SSi/c1-3-14-34(15-4-1)56(35-16-5-2-6-17-35,37-24-25-38-39-19-7-9-22-45(39)53-28-27-52-49(53)44(38)30-37)36-18-11-13-33(29-36)54-46-31-43-40-20-8-10-23-47(40)55-48(43)32-42(46)41-21-12-26-51-50(41)54/h1-32H
InChIKeySHHKTYCQHHQAEO-UHFFFAOYSA-N
XLogP9.88
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.99
LogP ≤ 59.88
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'}

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Related Compounds

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140955944
9-(3-pyrido[2,3-b]indol-9-ylphenoxy)-16-thia-2,5-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487003
[3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 162482974
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
CID 140954071
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
[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
9-imidazo[1,2-f]phenanthridin-11-yloxy-16-thia-2,5-diazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487172
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
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
(5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140954374
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
10-[3-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-phenyl-8,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140952311

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane?
The IUPAC name of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane (CID 140952139) is imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane.
What is the SMILES notation for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane?
The canonical SMILES for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4cc5c(cc4c4cccnc43)sc3ccccc35)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1.
What is the InChIKey of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane?
The InChIKey is SHHKTYCQHHQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4SSi/c1-3-14-34(15-4-1)56(35-16-5-2-6-17-35,37-24-25-38-39-19-7-9-22-45(39)53-28-27-52-49(53)44(38)30-37)36-18-11-13-33(29-36)54-46-31-43-40-20-8-10-23-47(40)55-48(43)32-42(46)41-21-12-26-51-50(41)54/h1-32H.
What are the key properties of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane?
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane has a molecular weight of 748.99 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(20-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]silane is sourced from PubChem (CID 140952139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).