CID 144938492

C82H55NSSi- — CID 144938492

IUPAC—
SMILESC[Si-]1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)cc21
InChIInChI=1S/C82H55NSSi/c1-85(2)81-50-65(64-40-46-80-76(49-64)71-17-7-8-20-79(71)84-80)37-42-72(81)73-43-41-66(51-82(73)85)83-77-44-38-62(56-25-21-52(22-26-56)54-29-33-60(34-30-54)69-18-9-13-58-11-3-5-15-67(58)69)47-74(77)75-48-63(39-45-78(75)83)57-27-23-53(24-28-57)55-31-35-61(36-32-55)70-19-10-14-59-12-4-6-16-68(59)70/h3-51H,1-2H3/q-1
InChIKeyHOQNLJFTHMPNBM-UHFFFAOYSA-N
MW1114.50 g/mol
LogP21.93
Rot. Bonds8

About CID 144938492

CID 144938492 (PubChem CID 144938492) has the molecular formula C82H55NSSi- and a molecular weight of 1114.50 g/mol.

Molecular Properties

Compound NameCID 144938492
PubChem CID144938492
Molecular FormulaC82H55NSSi-
Molecular Weight1114.50 g/mol
Exact Mass1113.38
IUPAC Name—
SMILESC[Si-]1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)cc21
InChIInChI=1S/C82H55NSSi/c1-85(2)81-50-65(64-40-46-80-76(49-64)71-17-7-8-20-79(71)84-80)37-42-72(81)73-43-41-66(51-82(73)85)83-77-44-38-62(56-25-21-52(22-26-56)54-29-33-60(34-30-54)69-18-9-13-58-11-3-5-15-67(58)69)47-74(77)75-48-63(39-45-78(75)83)57-27-23-53(24-28-57)55-31-35-61(36-32-55)70-19-10-14-59-12-4-6-16-68(59)70/h3-51H,1-2H3/q-1
InChIKeyHOQNLJFTHMPNBM-UHFFFAOYSA-N
XLogP21.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.50
LogP ≤ 521.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(7-dibenzothiophen-2-yl-5,5-diphenylbenzo[b][1]benzosilol-3-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 158495157
9-dibenzothiophen-2-yl-3-fluoranthen-8-ylcarbazole
CID 122434657
3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 159777371
3-dibenzothiophen-2-yl-9-[4-(8-phenylfluoranthen-3-yl)phenyl]carbazole
CID 71291327
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 159549899
9-dibenzothiophen-2-yl-2-phenyl-6-pyridin-3-ylcarbazole
CID 163526919

Frequently Asked Questions

What is the IUPAC name of CID 144938492?
The IUPAC name of CID 144938492 (CID 144938492) is not available.
What is the SMILES notation for CID 144938492?
The canonical SMILES for CID 144938492 is C[Si-]1(C)c2cc(-c3ccc4sc5ccccc5c4c3)ccc2-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4c4cc(-c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)ccc43)cc21.
What is the InChIKey of CID 144938492?
The InChIKey is HOQNLJFTHMPNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H55NSSi/c1-85(2)81-50-65(64-40-46-80-76(49-64)71-17-7-8-20-79(71)84-80)37-42-72(81)73-43-41-66(51-82(73)85)83-77-44-38-62(56-25-21-52(22-26-56)54-29-33-60(34-30-54)69-18-9-13-58-11-3-5-15-67(58)69)47-74(77)75-48-63(39-45-78(75)83)57-27-23-53(24-28-57)55-31-35-61(36-32-55)70-19-10-14-59-12-4-6-16-68(59)70/h3-51H,1-2H3/q-1.
What are the key properties of CID 144938492?
CID 144938492 has a molecular weight of 1114.50 g/mol, XLogP of 21.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144938492 is sourced from PubChem (CID 144938492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).