5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

C62H50N2Si2 — CID 59282102

IUPAC5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
SMILESc1ccc2c(c1)N(c1ccc(-c3cc4cc(-c5ccc(N6c7ccccc7[Si]7(CCCC7)c7ccccc76)cc5)c5ccccc5c4c4ccccc34)cc1)c1ccccc1[Si]21CCCC1
InChIInChI=1S/C62H50N2Si2/c1-3-19-50-48(17-1)52(43-29-33-46(34-30-43)63-54-21-5-9-25-58(54)65(37-13-14-38-65)59-26-10-6-22-55(59)63)41-45-42-53(49-18-2-4-20-51(49)62(45)50)44-31-35-47(36-32-44)64-56-23-7-11-27-60(56)66(39-15-16-40-66)61-28-12-8-24-57(61)64/h1-12,17-36,41-42H,13-16,37-40H2
InChIKeyLNEBVSFEQYXEDU-UHFFFAOYSA-N
MW879.27 g/mol
LogP14.76
Rot. Bonds4

About 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (PubChem CID 59282102) has the molecular formula C62H50N2Si2 and a molecular weight of 879.27 g/mol. Its IUPAC name is 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

Molecular Properties

Compound Name5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
PubChem CID59282102
Molecular FormulaC62H50N2Si2
Molecular Weight879.27 g/mol
Exact Mass878.35
IUPAC Name5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
SMILESc1ccc2c(c1)N(c1ccc(-c3cc4cc(-c5ccc(N6c7ccccc7[Si]7(CCCC7)c7ccccc76)cc5)c5ccccc5c4c4ccccc34)cc1)c1ccccc1[Si]21CCCC1
InChIInChI=1S/C62H50N2Si2/c1-3-19-50-48(17-1)52(43-29-33-46(34-30-43)63-54-21-5-9-25-58(54)65(37-13-14-38-65)59-26-10-6-22-55(59)63)41-45-42-53(49-18-2-4-20-51(49)62(45)50)44-31-35-47(36-32-44)64-56-23-7-11-27-60(56)66(39-15-16-40-66)61-28-12-8-24-57(61)64/h1-12,17-36,41-42H,13-16,37-40H2
InChIKeyLNEBVSFEQYXEDU-UHFFFAOYSA-N
XLogP14.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.27
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] with MolForge

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Related Compounds

5-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 59282557
11-[4-[5-(4-benzo[b][1]benzazepin-11-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]benzo[b][1]benzazepine
CID 59282155
5-(3,24-dimethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 59182039
5-(3,3,24,24-tetramethyl-21-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-3,24-disilahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaen-6-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 59181890
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355
5-(5-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl)spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 59182582
5,8-bis[4-(trifluoromethyl)phenyl]benzo[c]phenanthrene
CID 59282523
8-(4-methylphenyl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282122
5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140856453
(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
CID 141434054
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 160908481
11-[4-[5-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)benzo[c]phenanthren-8-yl]naphthalen-1-yl]benzo[b][1]benzazepine
CID 59282453

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
The IUPAC name of 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (CID 59282102) is 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].
What is the SMILES notation for 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
The canonical SMILES for 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is c1ccc2c(c1)N(c1ccc(-c3cc4cc(-c5ccc(N6c7ccccc7[Si]7(CCCC7)c7ccccc76)cc5)c5ccccc5c4c4ccccc34)cc1)c1ccccc1[Si]21CCCC1.
What is the InChIKey of 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
The InChIKey is LNEBVSFEQYXEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2Si2/c1-3-19-50-48(17-1)52(43-29-33-46(34-30-43)63-54-21-5-9-25-58(54)65(37-13-14-38-65)59-26-10-6-22-55(59)63)41-45-42-53(49-18-2-4-20-51(49)62(45)50)44-31-35-47(36-32-44)64-56-23-7-11-27-60(56)66(39-15-16-40-66)61-28-12-8-24-57(61)64/h1-12,17-36,41-42H,13-16,37-40H2.
What are the key properties of 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?
5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] has a molecular weight of 879.27 g/mol, XLogP of 14.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(4-spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]-5-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is sourced from PubChem (CID 59282102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).