24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

C36H25N3 — CID 142565593

IUPAC24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5nc6ccccc6n5c43)cc21
InChIInChI=1S/C36H25N3/c1-36(2)28-15-7-5-11-23(28)24-20-19-22(21-29(24)36)38-31-17-9-6-14-27(31)33-25-12-3-4-13-26(25)34-37-30-16-8-10-18-32(30)39(34)35(33)38/h3-21H,1-2H3
InChIKeyKXDDBQVESLWXLC-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.04
Rot. Bonds1

About 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (PubChem CID 142565593) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
PubChem CID142565593
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5nc6ccccc6n5c43)cc21
InChIInChI=1S/C36H25N3/c1-36(2)28-15-7-5-11-23(28)24-20-19-22(21-29(24)36)38-31-17-9-6-14-27(31)33-25-12-3-4-13-26(25)34-37-30-16-8-10-18-32(30)39(34)35(33)38/h3-21H,1-2H3
InChIKeyKXDDBQVESLWXLC-UHFFFAOYSA-N
XLogP9.04
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

16-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-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 135212588
16-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509966
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
5-(9,9-dimethylfluoren-3-yl)-6-phenylindolo[2,3-b]indole
CID 121289685
5-[4-(benzimidazolo[2,1-a]isoquinolin-6-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90086732
16-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-4-yl)-8,8-dimethyl-16-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 134509969
7-carbazol-9-yl-3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene;7-(4-carbazol-9-ylphenyl)-3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene;3-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 161139915
24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
CID 142565516
9-(9,9-dimethylfluoren-2-yl)-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126501110
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenanthridine
CID 121337153

Frequently Asked Questions

What is the IUPAC name of 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (CID 142565593) is 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5ccccc5c5nc6ccccc6n5c43)cc21.
What is the InChIKey of 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
The InChIKey is KXDDBQVESLWXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-36(2)28-15-7-5-11-23(28)24-20-19-22(21-29(24)36)38-31-17-9-6-14-27(31)33-25-12-3-4-13-26(25)34-37-30-16-8-10-18-32(30)39(34)35(33)38/h3-21H,1-2H3.
What are the key properties of 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?
24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene has a molecular weight of 499.62 g/mol, XLogP of 9.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(9,9-dimethylfluoren-2-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 142565593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).