10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]

C49H33NOSn — CID 144851745

IUPAC10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]
SMILESc1ccc([Sn]2(c3ccccc3)c3ccccc3Oc3cc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)ccc32)cc1
InChIInChI=1S/C37H23NO.2C6H5.Sn/c1-2-14-27(15-3-1)39-28-16-12-13-26(25-28)38-35-23-10-8-21-33(35)37(34-22-9-11-24-36(34)38)31-19-6-4-17-29(31)30-18-5-7-20-32(30)37;2*1-2-4-6-5-3-1;/h1-14,17-25H;2*1-5H;
InChIKeyREPGRLUDECQIBP-UHFFFAOYSA-N
MW770.52 g/mol
LogP9.32
Rot. Bonds3

About 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]

10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene] (PubChem CID 144851745) has the molecular formula C49H33NOSn and a molecular weight of 770.52 g/mol. Its IUPAC name is 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]
PubChem CID144851745
Molecular FormulaC49H33NOSn
Molecular Weight770.52 g/mol
Exact Mass771.16
IUPAC Name10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]
SMILESc1ccc([Sn]2(c3ccccc3)c3ccccc3Oc3cc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)ccc32)cc1
InChIInChI=1S/C37H23NO.2C6H5.Sn/c1-2-14-27(15-3-1)39-28-16-12-13-26(25-28)38-35-23-10-8-21-33(35)37(34-22-9-11-24-36(34)38)31-19-6-4-17-29(31)30-18-5-7-20-32(30)37;2*1-2-4-6-5-3-1;/h1-14,17-25H;2*1-5H;
InChIKeyREPGRLUDECQIBP-UHFFFAOYSA-N
XLogP9.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.52
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 146495452
CID 146495452
CID 144851814
CID 144851814
10-[10-(2,6-diphenylphenyl)-3-spiro[acridine-9,9'-fluorene]-10-ylbenzo[b][1,4]benzoxaborinin-7-yl]spiro[acridine-9,9'-fluorene]
CID 140728571
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
5-phenyl-10-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)phenazine
CID 129308793
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-thioxanthene]-10-ylbenzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
CID 160806653
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130262419
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268859
10-(5,17-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)spiro[acridine-9,9'-fluorene]
CID 158671806

Frequently Asked Questions

What is the IUPAC name of 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene] (CID 144851745) is 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene] is c1ccc([Sn]2(c3ccccc3)c3ccccc3Oc3cc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)ccc32)cc1.
What is the InChIKey of 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]?
The InChIKey is REPGRLUDECQIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO.2C6H5.Sn/c1-2-14-27(15-3-1)39-28-16-12-13-26(25-28)38-35-23-10-8-21-33(35)37(34-22-9-11-24-36(34)38)31-19-6-4-17-29(31)30-18-5-7-20-32(30)37;2*1-2-4-6-5-3-1;/h1-14,17-25H;2*1-5H;.
What are the key properties of 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]?
10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene] has a molecular weight of 770.52 g/mol, XLogP of 9.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 144851745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).