spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile

C36H20N2 — CID 154596064

IUPACspiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccc4ccccc4c3c3cccc1c32
InChIInChI=1S/C36H20N2/c37-21-22-16-18-26-25-10-3-4-12-28(25)36(31(26)20-22)29-13-5-6-15-32(29)38-33-19-17-23-8-1-2-9-24(23)34(33)27-11-7-14-30(36)35(27)38/h1-20H
InChIKeyCWMFCJYIOXYFRT-UHFFFAOYSA-N
MW480.57 g/mol
LogP8.49
Rot. Bonds

About spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile

spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile (PubChem CID 154596064) has the molecular formula C36H20N2 and a molecular weight of 480.57 g/mol. Its IUPAC name is spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile.

Molecular Properties

Compound Namespiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile
PubChem CID154596064
Molecular FormulaC36H20N2
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC Namespiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccc4ccccc4c3c3cccc1c32
InChIInChI=1S/C36H20N2/c37-21-22-16-18-26-25-10-3-4-12-28(25)36(31(26)20-22)29-13-5-6-15-32(29)38-33-19-17-23-8-1-2-9-24(23)34(33)27-11-7-14-30(36)35(27)38/h1-20H
InChIKeyCWMFCJYIOXYFRT-UHFFFAOYSA-N
XLogP8.49
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-7-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-indeno[1,2-b]carbazole]-5'-ylfluorene-2-carbonitrile
CID 131973890
21-methylspiro[1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15,17,19-decaene-8,9'-fluorene]-3'-carbonitrile
CID 154987835
7'-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 129024136
2-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)benzonitrile
CID 146495047
7'-(10-phenanthren-9-ylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 90194777
4-[3,6-di(butan-2-yl)carbazol-9-yl]-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 145096345
2-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzonitrile;8-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]quinoline;2'-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 165062220
ethane;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 158101812
15,23-di(dibenzothiophen-4-yl)spiro[15,23-diazanonacyclo[18.15.0.02,18.04,16.05,14.06,11.022,34.024,33.027,32]pentatriaconta-1(20),2(18),3,5(14),6,8,10,12,16,21,24(33),25,27,29,31,34-hexadecaene-19,9'-fluorene]
CID 137457126
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
4'-(8-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 155333575
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196

Frequently Asked Questions

What is the IUPAC name of spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile?
The IUPAC name of spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile (CID 154596064) is spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile.
What is the SMILES notation for spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile?
The canonical SMILES for spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile is N#Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccc4ccccc4c3c3cccc1c32.
What is the InChIKey of spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile?
The InChIKey is CWMFCJYIOXYFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N2/c37-21-22-16-18-26-25-10-3-4-12-28(25)36(31(26)20-22)29-13-5-6-15-32(29)38-33-19-17-23-8-1-2-9-24(23)34(33)27-11-7-14-30(36)35(27)38/h1-20H.
What are the key properties of spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile?
spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile has a molecular weight of 480.57 g/mol, XLogP of 8.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9,11,13(24),14(23),15,17,19,21-undecaene-8,9'-fluorene]-2'-carbonitrile is sourced from PubChem (CID 154596064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).