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]

C34H20N2 — CID 122594189

IUPACspiro[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]
SMILESc1cnc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C31c2ccccc2-c2c1ccc1ncccc21
InChIInChI=1S/C34H20N2/c1-3-11-27-22(8-1)26-19-25-21(17-20-7-5-16-36-33(20)25)18-30(26)34(27)28-12-4-2-9-23(28)32-24-10-6-15-35-31(24)14-13-29(32)34/h1-16,18-19H,17H2
InChIKeyWHUHSRWMHIHYQT-UHFFFAOYSA-N
MW456.55 g/mol
LogP7.54
Rot. Bonds

About 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]

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] (PubChem CID 122594189) has the molecular formula C34H20N2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Namespiro[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]
PubChem CID122594189
Molecular FormulaC34H20N2
Molecular Weight456.55 g/mol
Exact Mass456.16
IUPAC Namespiro[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]
SMILESc1cnc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C31c2ccccc2-c2c1ccc1ncccc21
InChIInChI=1S/C34H20N2/c1-3-11-27-22(8-1)26-19-25-21(17-20-7-5-16-36-33(20)25)18-30(26)34(27)28-12-4-2-9-23(28)32-24-10-6-15-35-31(24)14-13-29(32)34/h1-16,18-19H,17H2
InChIKeyWHUHSRWMHIHYQT-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[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] with MolForge

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Related Compounds

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
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
3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158727165
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[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
8'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 140945746
21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,10'-9H-anthracene]
CID 164989189
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 163458201
spiro[12H-indeno[2,1-b]fluorene-10,7'-5H-indeno[2,1-b]carbazole]
CID 159125912
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
CID 134272873
CID 134272873

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1cnc2c(c1)Cc1cc3c(cc1-2)-c1ccccc1C31c2ccccc2-c2c1ccc1ncccc21.
What is the InChIKey of 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]?
The InChIKey is WHUHSRWMHIHYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2/c1-3-11-27-22(8-1)26-19-25-21(17-20-7-5-16-36-33(20)25)18-30(26)34(27)28-12-4-2-9-23(28)32-24-10-6-15-35-31(24)14-13-29(32)34/h1-16,18-19H,17H2.
What are the key properties of 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]?
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] 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[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] is sourced from PubChem (CID 122594189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).