CID 144851701

C74H48N2O2SSi- — CID 144851701

IUPAC—
SMILESO=S1(=O)c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)ccc2[Si-](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc21
InChIInChI=1S/C74H48N2O2SSi/c77-79(78)69-47-49(75-65-39-19-15-35-61(65)73(62-36-16-20-40-66(62)75)57-31-11-7-27-53(57)54-28-8-12-32-58(54)73)43-45-71(69)80(51-23-3-1-4-24-51,52-25-5-2-6-26-52)72-46-44-50(48-70(72)79)76-67-41-21-17-37-63(67)74(64-38-18-22-42-68(64)76)59-33-13-9-29-55(59)56-30-10-14-34-60(56)74/h1-48H/q-1
InChIKeyUYRGMJHBUGEFOH-UHFFFAOYSA-N
MW1057.36 g/mol
LogP14.50
Rot. Bonds4

About CID 144851701

CID 144851701 (PubChem CID 144851701) has the molecular formula C74H48N2O2SSi- and a molecular weight of 1057.36 g/mol.

Molecular Properties

Compound NameCID 144851701
PubChem CID144851701
Molecular FormulaC74H48N2O2SSi-
Molecular Weight1057.36 g/mol
Exact Mass1056.32
IUPAC Name—
SMILESO=S1(=O)c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)ccc2[Si-](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc21
InChIInChI=1S/C74H48N2O2SSi/c77-79(78)69-47-49(75-65-39-19-15-35-61(65)73(62-36-16-20-40-66(62)75)57-31-11-7-27-53(57)54-28-8-12-32-58(54)73)43-45-71(69)80(51-23-3-1-4-24-51,52-25-5-2-6-26-52)72-46-44-50(48-70(72)79)76-67-41-21-17-37-63(67)74(64-38-18-22-42-68(64)76)59-33-13-9-29-55(59)56-30-10-14-34-60(56)74/h1-48H/q-1
InChIKeyUYRGMJHBUGEFOH-UHFFFAOYSA-N
XLogP14.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.36
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 144851701 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 144851814
CID 144851814
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
CID 139574739
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
3-[5-(10,10-dioxothianthren-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thianthrene 5,5-dioxide
CID 130396377
2-[5-(10,10-dioxophenoxathiin-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]phenoxathiine 10,10-dioxide
CID 130396372
10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268859
3-spiro[acridine-9,9'-fluorene]-10-ylthioxanthen-9-one
CID 121337058
10-[4-(3,5-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 158640756
10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide
CID 163588404
CID 146495452
CID 146495452

Frequently Asked Questions

What is the IUPAC name of CID 144851701?
The IUPAC name of CID 144851701 (CID 144851701) is not available.
What is the SMILES notation for CID 144851701?
The canonical SMILES for CID 144851701 is O=S1(=O)c2cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)ccc2[Si-](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc21.
What is the InChIKey of CID 144851701?
The InChIKey is UYRGMJHBUGEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O2SSi/c77-79(78)69-47-49(75-65-39-19-15-35-61(65)73(62-36-16-20-40-66(62)75)57-31-11-7-27-53(57)54-28-8-12-32-58(54)73)43-45-71(69)80(51-23-3-1-4-24-51,52-25-5-2-6-26-52)72-46-44-50(48-70(72)79)76-67-41-21-17-37-63(67)74(64-38-18-22-42-68(64)76)59-33-13-9-29-55(59)56-30-10-14-34-60(56)74/h1-48H/q-1.
What are the key properties of CID 144851701?
CID 144851701 has a molecular weight of 1057.36 g/mol, XLogP of 14.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144851701 is sourced from PubChem (CID 144851701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).