CID 155655430

C74H54N2O2S2Si2 — CID 155655430

IUPAC—
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc12
InChIInChI=1S/C74H54N2O2S2Si2/c1-81(2)63-41-19-13-31-51(63)73(52-32-14-20-42-64(52)81)55-45-67(75(47-25-7-5-8-26-47)57-35-23-39-61-69(57)49-29-11-17-37-59(49)77-61)80-72(55)74(53-33-15-21-43-65(53)82(3,4)66-44-22-16-34-54(66)74)56-46-68(79-71(56)73)76(48-27-9-6-10-28-48)58-36-24-40-62-70(58)50-30-12-18-38-60(50)78-62/h5-46H,1-4H3
InChIKeyPHGPQGRPIAXWIQ-UHFFFAOYSA-N
MW1123.56 g/mol
LogP17.90
Rot. Bonds6

About CID 155655430

CID 155655430 (PubChem CID 155655430) has the molecular formula C74H54N2O2S2Si2 and a molecular weight of 1123.56 g/mol.

Molecular Properties

Compound NameCID 155655430
PubChem CID155655430
Molecular FormulaC74H54N2O2S2Si2
Molecular Weight1123.56 g/mol
Exact Mass1122.32
IUPAC Name—
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc12
InChIInChI=1S/C74H54N2O2S2Si2/c1-81(2)63-41-19-13-31-51(63)73(52-32-14-20-42-64(52)81)55-45-67(75(47-25-7-5-8-26-47)57-35-23-39-61-69(57)49-29-11-17-37-59(49)77-61)80-72(55)74(53-33-15-21-43-65(53)82(3,4)66-44-22-16-34-54(66)74)56-46-68(79-71(56)73)76(48-27-9-6-10-28-48)58-36-24-40-62-70(58)50-30-12-18-38-60(50)78-62/h5-46H,1-4H3
InChIKeyPHGPQGRPIAXWIQ-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

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N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
3-N,7-N-di(dibenzofuran-1-yl)-10,10-dimethyl-3-N,7-N-diphenyl-[1]benzosilolo[3,2-b][1]benzofuran-3,7-diamine
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N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-phenyl-N-(9,9,10,10-tetraphenylphenanthren-3-yl)dibenzofuran-1-amine
CID 163943702
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
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7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
N-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-phenylcarbazol-3-amine;N-dibenzofuran-2-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-phenylcarbazol-3-amine;N-dibenzofuran-3-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-9-phenylcarbazol-3-amine;N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N,9-diphenylcarbazol-3-amine
CID 165077516
CID 157051392
CID 157051392

Frequently Asked Questions

What is the IUPAC name of CID 155655430?
The IUPAC name of CID 155655430 (CID 155655430) is not available.
What is the SMILES notation for CID 155655430?
The canonical SMILES for CID 155655430 is C[Si]1(C)c2ccccc2C2(c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc1C1(c3ccccc3[Si](C)(C)c3ccccc31)c1cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)sc12.
What is the InChIKey of CID 155655430?
The InChIKey is PHGPQGRPIAXWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N2O2S2Si2/c1-81(2)63-41-19-13-31-51(63)73(52-32-14-20-42-64(52)81)55-45-67(75(47-25-7-5-8-26-47)57-35-23-39-61-69(57)49-29-11-17-37-59(49)77-61)80-72(55)74(53-33-15-21-43-65(53)82(3,4)66-44-22-16-34-54(66)74)56-46-68(79-71(56)73)76(48-27-9-6-10-28-48)58-36-24-40-62-70(58)50-30-12-18-38-60(50)78-62/h5-46H,1-4H3.
What are the key properties of CID 155655430?
CID 155655430 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 155655430 is sourced from PubChem (CID 155655430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).