spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]

C28H17N — CID 59522731

IUPACspiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2nccc3cccc1c23
InChIInChI=1S/C28H17N/c1-4-12-22-19(9-1)20-10-2-5-13-23(20)28(22)24-14-6-3-11-21(24)27-26-18(16-17-29-27)8-7-15-25(26)28/h1-17H
InChIKeyRUBIAAGTQACOGK-UHFFFAOYSA-N
MW367.45 g/mol
LogP6.58
Rot. Bonds

About spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]

spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene] (PubChem CID 59522731) has the molecular formula C28H17N and a molecular weight of 367.45 g/mol. Its IUPAC name is spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene].

Molecular Properties

Compound Namespiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
PubChem CID59522731
Molecular FormulaC28H17N
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Namespiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2nccc3cccc1c23
InChIInChI=1S/C28H17N/c1-4-12-22-19(9-1)20-10-2-5-13-23(20)28(22)24-14-6-3-11-21(24)27-26-18(16-17-29-27)8-7-15-25(26)28/h1-17H
InChIKeyRUBIAAGTQACOGK-UHFFFAOYSA-N
XLogP6.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene] with MolForge

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Related Compounds

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CID 164748256
15-tert-butylspiro[5,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene-12,9'-fluorene]
CID 164748912
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CID 101134797
4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,10-phenanthroline
CID 155460674
ethane;naphthalene;9,9'-spirobi[fluorene]
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2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
8'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
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8,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 16753272
6-fluoro-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 134201762

Frequently Asked Questions

What is the IUPAC name of spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]?
The IUPAC name of spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene] (CID 59522731) is spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene].
What is the SMILES notation for spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]?
The canonical SMILES for spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2nccc3cccc1c23.
What is the InChIKey of spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]?
The InChIKey is RUBIAAGTQACOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N/c1-4-12-22-19(9-1)20-10-2-5-13-23(20)28(22)24-14-6-3-11-21(24)27-26-18(16-17-29-27)8-7-15-25(26)28/h1-17H.
What are the key properties of spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]?
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene] has a molecular weight of 367.45 g/mol, XLogP of 6.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene] is sourced from PubChem (CID 59522731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).