spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]

C34H20N2 — CID 122594196

IUPACspiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
SMILESc1ccc2c(c1)-c1cc3c(cc1C21c2ccccc2-c2ncccc21)Cc1ccc2ncccc2c1-3
InChIInChI=1S/C34H20N2/c1-3-10-27-22(7-1)26-19-25-21(17-20-13-14-31-24(32(20)25)9-5-15-35-31)18-30(26)34(27)28-11-4-2-8-23(28)33-29(34)12-6-16-36-33/h1-16,18-19H,17H2
InChIKeyJXLDYRWJCKTLKC-UHFFFAOYSA-N
MW456.55 g/mol
LogP7.54
Rot. Bonds

About spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]

spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine] (PubChem CID 122594196) has the molecular formula C34H20N2 and a molecular weight of 456.55 g/mol. Its IUPAC name is spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine].

Molecular Properties

Compound Namespiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
PubChem CID122594196
Molecular FormulaC34H20N2
Molecular Weight456.55 g/mol
Exact Mass456.16
IUPAC Namespiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
SMILESc1ccc2c(c1)-c1cc3c(cc1C21c2ccccc2-c2ncccc21)Cc1ccc2ncccc2c1-3
InChIInChI=1S/C34H20N2/c1-3-10-27-22(7-1)26-19-25-21(17-20-13-14-31-24(32(20)25)9-5-15-35-31)18-30(26)34(27)28-11-4-2-8-23(28)33-29(34)12-6-16-36-33/h1-16,18-19H,17H2
InChIKeyJXLDYRWJCKTLKC-UHFFFAOYSA-N
XLogP7.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine] with MolForge

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Related Compounds

spiro[5-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,7'-indeno[1,2-f]quinoline]
CID 122594189
spiro[fluorene-9,7'-indeno[1,2-f]quinoline]
CID 134354321
ethane;propane;spiro[3-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[5-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[8-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[hexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]
CID 160869113
spiro[8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene-20,9'-fluorene]
CID 122631514
2'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-oxa-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine];2'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,9'-fluorene];7'-(10-phenylanthracen-9-yl)spiro[12-thia-7-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),16,18,20-undecaene-22,5'-indeno[1,2-b]pyridine]
CID 161164684
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
ethane;propane;spiro[hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine];spiro[hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-indeno[2,1-b]pyridine];spiro[hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridine];spiro[hexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-indeno[2,1-c]pyridine]
CID 158979153
11,11'-spirobi[26,29-diazaheptacyclo[15.12.0.02,14.04,12.05,10.019,28.022,27]nonacosa-1(17),2,4(12),5,7,9,13,18,20,22(27),23,25,28-tridecaene]
CID 102220680
spiro[5H-indeno[2,1-a]indene-10,5'-indeno[1,2-b]pyridine]
CID 126652948
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 163458201
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]
CID 122631539
8'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 140945746

Frequently Asked Questions

What is the IUPAC name of spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]?
The IUPAC name of spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine] (CID 122594196) is spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine].
What is the SMILES notation for spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]?
The canonical SMILES for spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine] is c1ccc2c(c1)-c1cc3c(cc1C21c2ccccc2-c2ncccc21)Cc1ccc2ncccc2c1-3.
What is the InChIKey of spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]?
The InChIKey is JXLDYRWJCKTLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2/c1-3-10-27-22(7-1)26-19-25-21(17-20-13-14-31-24(32(20)25)9-5-15-35-31)18-30(26)34(27)28-11-4-2-8-23(28)33-29(34)12-6-16-36-33/h1-16,18-19H,17H2.
What are the key properties of spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine]?
spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine] has a molecular weight of 456.55 g/mol, XLogP of 7.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3(8),4,6,9,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 122594196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).