10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]

C59H38N2Si — CID 177278198

IUPAC10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2cc4c(c5ccccc25)-c2ccccc2[Si]42c4ccccc4-c4ccccc42)c2ccccc23)cc1
InChIInChI=1S/C59H38N2Si/c1-2-20-39(21-3-1)60-49-31-13-9-27-45(49)59(46-28-10-14-32-50(46)60)47-29-11-15-33-51(47)61(52-34-16-12-30-48(52)59)53-38-57-58(43-25-5-4-22-40(43)53)44-26-8-19-37-56(44)62(57)54-35-17-6-23-41(54)42-24-7-18-36-55(42)62/h1-38H
InChIKeyAUBCGRHXXSWYJY-UHFFFAOYSA-N
MW803.05 g/mol
LogP12.13
Rot. Bonds2

About 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]

10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine] (PubChem CID 177278198) has the molecular formula C59H38N2Si and a molecular weight of 803.05 g/mol. Its IUPAC name is 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]
PubChem CID177278198
Molecular FormulaC59H38N2Si
Molecular Weight803.05 g/mol
Exact Mass802.28
IUPAC Name10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2cc4c(c5ccccc25)-c2ccccc2[Si]42c4ccccc4-c4ccccc42)c2ccccc23)cc1
InChIInChI=1S/C59H38N2Si/c1-2-20-39(21-3-1)60-49-31-13-9-27-45(49)59(46-28-10-14-32-50(46)60)47-29-11-15-33-51(47)61(52-34-16-12-30-48(52)59)53-38-57-58(43-25-5-4-22-40(43)53)44-26-8-19-37-56(44)62(57)54-35-17-6-23-41(54)42-24-7-18-36-55(42)62/h1-38H
InChIKeyAUBCGRHXXSWYJY-UHFFFAOYSA-N
XLogP12.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.05
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine] with MolForge

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Related Compounds

10-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-3-ylspiro[acridine-9,9'-thioxanthene]
CID 177278006
10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
CID 177278234
12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]
CID 177278380
10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 177278321
5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
CID 140886971
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177278031
10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]
CID 177278392
10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]
CID 177278203
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 155333996
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-thioxanthene]
CID 177278342
7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
CID 177278340

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]?
The IUPAC name of 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine] (CID 177278198) is 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine].
What is the SMILES notation for 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]?
The canonical SMILES for 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine] is c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2cc4c(c5ccccc25)-c2ccccc2[Si]42c4ccccc4-c4ccccc42)c2ccccc23)cc1.
What is the InChIKey of 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]?
The InChIKey is AUBCGRHXXSWYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2Si/c1-2-20-39(21-3-1)60-49-31-13-9-27-45(49)59(46-28-10-14-32-50(46)60)47-29-11-15-33-51(47)61(52-34-16-12-30-48(52)59)53-38-57-58(43-25-5-4-22-40(43)53)44-26-8-19-37-56(44)62(57)54-35-17-6-23-41(54)42-24-7-18-36-55(42)62/h1-38H.
What are the key properties of 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine]?
10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine] has a molecular weight of 803.05 g/mol, XLogP of 12.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10'-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-5'-yl-9,9'-spirobi[acridine] is sourced from PubChem (CID 177278198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).