[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane

C55H37N3SSi — CID 123144091

IUPAC[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7sc8ccccc8c76)cc5)ccc43)cc2)c2ccccn2)cc1
InChIInChI=1S/C55H37N3SSi/c1-3-15-42(16-4-1)60(43-17-5-2-6-18-43,53-25-13-14-36-56-53)44-33-31-40(32-34-44)57-49-22-10-7-19-45(49)48-37-39(28-35-51(48)57)38-26-29-41(30-27-38)58-50-23-11-8-20-46(50)55-54(58)47-21-9-12-24-52(47)59-55/h1-37H
InChIKeyCZDAYSICNRTQQK-UHFFFAOYSA-N
MW800.08 g/mol
LogP11.53
Rot. Bonds7

About [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane

[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane (PubChem CID 123144091) has the molecular formula C55H37N3SSi and a molecular weight of 800.08 g/mol. Its IUPAC name is [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane.

Molecular Properties

Compound Name[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane
PubChem CID123144091
Molecular FormulaC55H37N3SSi
Molecular Weight800.08 g/mol
Exact Mass799.25
IUPAC Name[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7sc8ccccc8c76)cc5)ccc43)cc2)c2ccccn2)cc1
InChIInChI=1S/C55H37N3SSi/c1-3-15-42(16-4-1)60(43-17-5-2-6-18-43,53-25-13-14-36-56-53)44-33-31-40(32-34-44)57-49-22-10-7-19-45(49)48-37-39(28-35-51(48)57)38-26-29-41(30-27-38)58-50-23-11-8-20-46(50)55-54(58)47-21-9-12-24-52(47)59-55/h1-37H
InChIKeyCZDAYSICNRTQQK-UHFFFAOYSA-N
XLogP11.53
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.08
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
CID 123963134
10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
CID 118150020
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
CID 144585475
12-phenyl-18-[4-(9-phenylcarbazol-3-yl)phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286512
diphenyl-(9-phenylcarbazol-2-yl)-pyridin-2-ylsilane
CID 161189734
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]silane
CID 167382317
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347
3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296100
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane?
The IUPAC name of [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane (CID 123144091) is [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane.
What is the SMILES notation for [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane?
The canonical SMILES for [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane is c1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4cc(-c5ccc(-n6c7ccccc7c7sc8ccccc8c76)cc5)ccc43)cc2)c2ccccn2)cc1.
What is the InChIKey of [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane?
The InChIKey is CZDAYSICNRTQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3SSi/c1-3-15-42(16-4-1)60(43-17-5-2-6-18-43,53-25-13-14-36-56-53)44-33-31-40(32-34-44)57-49-22-10-7-19-45(49)48-37-39(28-35-51(48)57)38-26-29-41(30-27-38)58-50-23-11-8-20-46(50)55-54(58)47-21-9-12-24-52(47)59-55/h1-37H.
What are the key properties of [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane?
[4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane has a molecular weight of 800.08 g/mol, XLogP of 11.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-diphenyl-pyridin-2-ylsilane is sourced from PubChem (CID 123144091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).