5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]

C61H40Si — CID 123871966

IUPAC5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4cc(-c5ccc6ccccc6c5)ccc4-c4c3cc(-c3ccc5ccccc5c3)c3ccccc43)c3ccccc32)cc1
InChIInChI=1S/C61H40Si/c1-3-21-48(22-4-1)62(49-23-5-2-6-24-49)58-29-15-13-27-54(58)61(55-28-14-16-30-59(55)62)56-39-46(45-33-31-41-17-7-9-19-43(41)37-45)35-36-52(56)60-51-26-12-11-25-50(51)53(40-57(60)61)47-34-32-42-18-8-10-20-44(42)38-47/h1-40H
InChIKeyTVOGDUAZVBYPQI-UHFFFAOYSA-N
MW801.08 g/mol
LogP12.53
Rot. Bonds4

About 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]

5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene] (PubChem CID 123871966) has the molecular formula C61H40Si and a molecular weight of 801.08 g/mol. Its IUPAC name is 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene].

Molecular Properties

Compound Name5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]
PubChem CID123871966
Molecular FormulaC61H40Si
Molecular Weight801.08 g/mol
Exact Mass800.29
IUPAC Name5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4cc(-c5ccc6ccccc6c5)ccc4-c4c3cc(-c3ccc5ccccc5c3)c3ccccc43)c3ccccc32)cc1
InChIInChI=1S/C61H40Si/c1-3-21-48(22-4-1)62(49-23-5-2-6-24-49)58-29-15-13-27-54(58)61(55-28-14-16-30-59(55)62)56-39-46(45-33-31-41-17-7-9-19-43(41)37-45)35-36-52(56)60-51-26-12-11-25-50(51)53(40-57(60)61)47-34-32-42-18-8-10-20-44(42)38-47/h1-40H
InChIKeyTVOGDUAZVBYPQI-UHFFFAOYSA-N
XLogP12.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.08
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene] with MolForge

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Related Compounds

9,9-dimethyl-5',9'-dinaphthalen-2-ylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742596
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763

Frequently Asked Questions

What is the IUPAC name of 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]?
The IUPAC name of 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene] (CID 123871966) is 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene].
What is the SMILES notation for 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]?
The canonical SMILES for 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene] is c1ccc([Si]2(c3ccccc3)c3ccccc3C3(c4cc(-c5ccc6ccccc6c5)ccc4-c4c3cc(-c3ccc5ccccc5c3)c3ccccc43)c3ccccc32)cc1.
What is the InChIKey of 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]?
The InChIKey is TVOGDUAZVBYPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40Si/c1-3-21-48(22-4-1)62(49-23-5-2-6-24-49)58-29-15-13-27-54(58)61(55-28-14-16-30-59(55)62)56-39-46(45-33-31-41-17-7-9-19-43(41)37-45)35-36-52(56)60-51-26-12-11-25-50(51)53(40-57(60)61)47-34-32-42-18-8-10-20-44(42)38-47/h1-40H.
What are the key properties of 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene]?
5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene] has a molecular weight of 801.08 g/mol, XLogP of 12.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5',9'-dinaphthalen-2-yl-5,5-diphenylspiro[benzo[b][1]benzosiline-10,7'-benzo[c]fluorene] is sourced from PubChem (CID 123871966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).