(7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane

C66H41N3OSSi — CID 140932163

IUPAC(7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2cc3c(s2)-c2cccnc2-c2ncccc2-c2occc2-3)cc1
InChIInChI=1S/C66H41N3OSSi/c1-3-17-43(18-4-1)72(44-19-5-2-6-20-44,62-41-59-54-35-38-70-65(54)55-27-15-36-67-63(55)64-56(66(59)71-62)28-16-37-68-64)45-32-34-51-50-33-31-42(69-60-29-13-11-25-52(60)53-26-12-14-30-61(53)69)39-57(50)48-23-9-7-21-46(48)47-22-8-10-24-49(47)58(51)40-45/h1-41H/b47-46-,51-50-,57-48-,58-49-,59-54-,64-63-,65-55+,66-56+
InChIKeyVWYXAXYJDXVVEK-MWXLNAJASA-N
MW952.23 g/mol
LogP14.57
Rot. Bonds5

About (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane

(7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane (PubChem CID 140932163) has the molecular formula C66H41N3OSSi and a molecular weight of 952.23 g/mol. Its IUPAC name is (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane.

Molecular Properties

Compound Name(7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane
PubChem CID140932163
Molecular FormulaC66H41N3OSSi
Molecular Weight952.23 g/mol
Exact Mass951.27
IUPAC Name(7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2cc3c(s2)-c2cccnc2-c2ncccc2-c2occc2-3)cc1
InChIInChI=1S/C66H41N3OSSi/c1-3-17-43(18-4-1)72(44-19-5-2-6-20-44,62-41-59-54-35-38-70-65(54)55-27-15-36-67-63(55)64-56(66(59)71-62)28-16-37-68-64)45-32-34-51-50-33-31-42(69-60-29-13-11-25-52(60)53-26-12-14-30-61(53)69)39-57(50)48-23-9-7-21-46(48)47-22-8-10-24-49(47)58(51)40-45/h1-41H/b47-46-,51-50-,57-48-,58-49-,59-54-,64-63-,65-55+,66-56+
InChIKeyVWYXAXYJDXVVEK-MWXLNAJASA-N
XLogP14.57
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.23
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane with MolForge

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Related Compounds

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9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319
9-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
CID 58501544
9-Dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 58501567
9-Dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
CID 58501585
3-(2-Pyridin-3-ylphenyl)-9-[8-[8-(2-pyridin-3-ylphenyl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 58501588
5-Dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
CID 58501593
9-[8-[2-(4-Dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433816
3-[4-(1-Benzothiophen-7-yl)-2-pyridinyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 89609878
8-[3-(6-Dibenzothiophen-4-yl-2-pyridinyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850020
[9-([1]Benzofuro[3,2-c]pyridin-8-yl)carbazol-3-yl]-dibenzothiophen-2-yl-dimethylsilane
CID 89850042
8-[3-(9-Dibenzothiophen-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
CID 89850054

Frequently Asked Questions

What is the IUPAC name of (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane?
The IUPAC name of (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane (CID 140932163) is (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane.
What is the SMILES notation for (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane?
The canonical SMILES for (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)ccc2-3)c2cc3c(s2)-c2cccnc2-c2ncccc2-c2occc2-3)cc1.
What is the InChIKey of (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane?
The InChIKey is VWYXAXYJDXVVEK-MWXLNAJASA-N. The full InChI is InChI=1S/C66H41N3OSSi/c1-3-17-43(18-4-1)72(44-19-5-2-6-20-44,62-41-59-54-35-38-70-65(54)55-27-15-36-67-63(55)64-56(66(59)71-62)28-16-37-68-64)45-32-34-51-50-33-31-42(69-60-29-13-11-25-52(60)53-26-12-14-30-61(53)69)39-57(50)48-23-9-7-21-46(48)47-22-8-10-24-49(47)58(51)40-45/h1-41H/b47-46-,51-50-,57-48-,58-49-,59-54-,64-63-,65-55+,66-56+.
What are the key properties of (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane?
(7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane has a molecular weight of 952.23 g/mol, XLogP of 14.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-carbazol-9-yltetraphenylen-2-yl)-(3-oxa-10-thia-16,19-diazapentacyclo[16.4.0.02,6.07,11.012,17]docosa-1(18),2(6),4,7(11),8,12(17),13,15,19,21-decaen-9-yl)-diphenylsilane is sourced from PubChem (CID 140932163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).