3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene

C36H25N3 — CID 135212267

IUPAC3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n5c(nc6c7ccccc7[nH]c65)c34)cccc21
InChIInChI=1S/C36H25N3/c1-36(2)27-17-6-3-12-25(27)31-23(16-10-18-28(31)36)24-15-9-14-22-21-11-5-8-20-30(21)39-34(32(22)24)38-33-26-13-4-7-19-29(26)37-35(33)39/h3-20,37H,1-2H3
InChIKeyQJUTVOACHPALNH-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.25
Rot. Bonds1

About 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene

3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene (PubChem CID 135212267) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene
PubChem CID135212267
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n5c(nc6c7ccccc7[nH]c65)c34)cccc21
InChIInChI=1S/C36H25N3/c1-36(2)27-17-6-3-12-25(27)31-23(16-10-18-28(31)36)24-15-9-14-22-21-11-5-8-20-30(21)39-34(32(22)24)38-33-26-13-4-7-19-29(26)37-35(33)39/h3-20,37H,1-2H3
InChIKeyQJUTVOACHPALNH-UHFFFAOYSA-N
XLogP9.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene with MolForge

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Related Compounds

N-(2-chlorophenyl)-12-(9,9-dimethylfluoren-4-yl)imidazo[1,2-f]phenanthridin-3-amine
CID 157238286
16-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene
CID 135212432
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
3-(9,9-dimethylfluoren-4-yl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 147491263
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170138007
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170138074
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
3-(9,9-dimethylfluoren-2-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 146370145
14,14,36,36-tetramethyl-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 138745246
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene?
The IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene (CID 135212267) is 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene.
What is the SMILES notation for 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene?
The canonical SMILES for 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene is CC1(C)c2ccccc2-c2c(-c3cccc4c5ccccc5n5c(nc6c7ccccc7[nH]c65)c34)cccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene?
The InChIKey is QJUTVOACHPALNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-36(2)27-17-6-3-12-25(27)31-23(16-10-18-28(31)36)24-15-9-14-22-21-11-5-8-20-30(21)39-34(32(22)24)38-33-26-13-4-7-19-29(26)37-35(33)39/h3-20,37H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene?
3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene has a molecular weight of 499.62 g/mol, XLogP of 9.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-4-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2(7),3,5,8,10,12,15(23),17,19,21-undecaene is sourced from PubChem (CID 135212267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).