CID 155655459

C74H54N2O2S2Si2 — CID 155655459

IUPAC—
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc12
InChIInChI=1S/C74H54N2O2S2Si2/c1-81(2)65-35-19-13-29-55(65)73(56-30-14-20-36-66(56)81)59-45-69(75(47-23-7-5-8-24-47)49-39-41-53-51-27-11-17-33-61(51)77-63(53)43-49)80-72(59)74(57-31-15-21-37-67(57)82(3,4)68-38-22-16-32-58(68)74)60-46-70(79-71(60)73)76(48-25-9-6-10-26-48)50-40-42-54-52-28-12-18-34-62(52)78-64(54)44-50/h5-46H,1-4H3
InChIKeyFRGCEZGGUHWLBH-UHFFFAOYSA-N
MW1123.56 g/mol
LogP17.90
Rot. Bonds6

About CID 155655459

CID 155655459 (PubChem CID 155655459) has the molecular formula C74H54N2O2S2Si2 and a molecular weight of 1123.56 g/mol.

Molecular Properties

Compound NameCID 155655459
PubChem CID155655459
Molecular FormulaC74H54N2O2S2Si2
Molecular Weight1123.56 g/mol
Exact Mass1122.32
IUPAC Name—
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc12
InChIInChI=1S/C74H54N2O2S2Si2/c1-81(2)65-35-19-13-29-55(65)73(56-30-14-20-36-66(56)81)59-45-69(75(47-23-7-5-8-24-47)49-39-41-53-51-27-11-17-33-61(51)77-63(53)43-49)80-72(59)74(57-31-15-21-37-67(57)82(3,4)68-38-22-16-32-58(68)74)60-46-70(79-71(60)73)76(48-25-9-6-10-26-48)50-40-42-54-52-28-12-18-34-62(52)78-64(54)44-50/h5-46H,1-4H3
InChIKeyFRGCEZGGUHWLBH-UHFFFAOYSA-N
XLogP17.90
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.56
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 155428075
CID 155428075
CID 155655430
CID 155655430
CID 155428080
CID 155428080
CID 158445752
CID 158445752
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzothiophen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(5,5-dimethylspiro[benzo[b][1]benzosiline-10,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
CID 157073410
N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129230912
CID 157051392
CID 157051392
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-phenyl-N-(10,10'-spirobi[benzo[b][1,4]benzothiasiline]-2-yl)dibenzofuran-3-amine
CID 148736996
7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494769
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303

Frequently Asked Questions

What is the IUPAC name of CID 155655459?
The IUPAC name of CID 155655459 (CID 155655459) is not available.
What is the SMILES notation for CID 155655459?
The canonical SMILES for CID 155655459 is C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)sc12.
What is the InChIKey of CID 155655459?
The InChIKey is FRGCEZGGUHWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N2O2S2Si2/c1-81(2)65-35-19-13-29-55(65)73(56-30-14-20-36-66(56)81)59-45-69(75(47-23-7-5-8-24-47)49-39-41-53-51-27-11-17-33-61(51)77-63(53)43-49)80-72(59)74(57-31-15-21-37-67(57)82(3,4)68-38-22-16-32-58(68)74)60-46-70(79-71(60)73)76(48-25-9-6-10-26-48)50-40-42-54-52-28-12-18-34-62(52)78-64(54)44-50/h5-46H,1-4H3.
What are the key properties of CID 155655459?
CID 155655459 has a molecular weight of 1123.56 g/mol, XLogP of 17.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155655459 is sourced from PubChem (CID 155655459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).