16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one

C36H24N2O — CID 156870680

IUPAC16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)nc1n3C(=O)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C36H24N2O/c1-35(2)26-15-7-3-13-23(26)25-19-32-31(20-30(25)35)37-34-36(29-18-10-6-14-24(29)33(39)38(32)34)27-16-8-4-11-21(27)22-12-5-9-17-28(22)36/h3-20H,1-2H3
InChIKeyCJSYAJPAQPSHFT-UHFFFAOYSA-N
MW500.60 g/mol
LogP7.71
Rot. Bonds

About 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one

16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one (PubChem CID 156870680) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one.

Molecular Properties

Compound Name16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one
PubChem CID156870680
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)nc1n3C(=O)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C36H24N2O/c1-35(2)26-15-7-3-13-23(26)25-19-32-31(20-30(25)35)37-34-36(29-18-10-6-14-24(29)33(39)38(32)34)27-16-8-4-11-21(27)22-12-5-9-17-28(22)36/h3-20H,1-2H3
InChIKeyCJSYAJPAQPSHFT-UHFFFAOYSA-N
XLogP7.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one 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

2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[benzimidazolo[1,2-b]isoquinoline-6,9'-fluorene]-11-one
CID 169048631
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-6'-amine
CID 142607235
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one
CID 169048496
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
CID 134551753
CID 134551753
7,7,32,32-tetramethyl-1,3,17,23,37-pentazaundecacyclo[20.16.1.02,17.04,16.06,14.08,13.018,39.023,38.024,36.025,33.026,31]nonatriaconta-2,4(16),5,8,10,12,14,18(39),19,21,24(36),25(33),26,28,30,34,37-heptadecaene
CID 146652531
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)indeno[2,1-f][1,3]benzoxazol-9-one
CID 90201706
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-1'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]-8'-amine
CID 163614640
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
CID 158538200
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944

Frequently Asked Questions

What is the IUPAC name of 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one?
The IUPAC name of 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one (CID 156870680) is 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one.
What is the SMILES notation for 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one?
The canonical SMILES for 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one is CC1(C)c2ccccc2-c2cc3c(cc21)nc1n3C(=O)c2ccccc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one?
The InChIKey is CJSYAJPAQPSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-35(2)26-15-7-3-13-23(26)25-19-32-31(20-30(25)35)37-34-36(29-18-10-6-14-24(29)33(39)38(32)34)27-16-8-4-11-21(27)22-12-5-9-17-28(22)36/h3-20H,1-2H3.
What are the key properties of 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one?
16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one has a molecular weight of 500.60 g/mol, XLogP of 7.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-dimethylspiro[2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaene-10,9'-fluorene]-3-one is sourced from PubChem (CID 156870680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).