23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one

C36H25N3O — CID 146638916

IUPAC23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one
SMILESCC1(C)c2ccccc2-c2c(N3c4ccccc4-n4c(=O)c5ccccc5n5c6ccccc6c3c45)cccc21
InChIInChI=1S/C36H25N3O/c1-36(2)25-15-6-3-12-22(25)32-26(36)16-11-21-31(32)37-29-19-9-10-20-30(29)39-34-33(37)23-13-4-7-17-27(23)38(34)28-18-8-5-14-24(28)35(39)40/h3-21H,1-2H3
InChIKeyLGRPNSGMSWOWLC-UHFFFAOYSA-N
MW515.62 g/mol
LogP8.49
Rot. Bonds1

About 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one

23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one (PubChem CID 146638916) has the molecular formula C36H25N3O and a molecular weight of 515.62 g/mol. Its IUPAC name is 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one.

Molecular Properties

Compound Name23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one
PubChem CID146638916
Molecular FormulaC36H25N3O
Molecular Weight515.62 g/mol
Exact Mass515.20
IUPAC Name23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one
SMILESCC1(C)c2ccccc2-c2c(N3c4ccccc4-n4c(=O)c5ccccc5n5c6ccccc6c3c45)cccc21
InChIInChI=1S/C36H25N3O/c1-36(2)25-15-6-3-12-22(25)32-26(36)16-11-21-31(32)37-29-19-9-10-20-30(29)39-34-33(37)23-13-4-7-17-27(23)38(34)28-18-8-5-14-24(28)35(39)40/h3-21H,1-2H3
InChIKeyLGRPNSGMSWOWLC-UHFFFAOYSA-N
XLogP8.49
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one with MolForge

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Related Compounds

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CID 166769086
2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]isoindole-1,3-dione
CID 158538200
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
5-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]-10-methylphenazine
CID 59195797
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
5-[4-[4-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]phenanthridin-6-one
CID 126543784
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
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
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-(1,3-dioxoisoindol-2-yl)benzonitrile
CID 163528682
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554

Frequently Asked Questions

What is the IUPAC name of 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one?
The IUPAC name of 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one (CID 146638916) is 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one.
What is the SMILES notation for 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one?
The canonical SMILES for 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one is CC1(C)c2ccccc2-c2c(N3c4ccccc4-n4c(=O)c5ccccc5n5c6ccccc6c3c45)cccc21.
What is the InChIKey of 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one?
The InChIKey is LGRPNSGMSWOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O/c1-36(2)25-15-6-3-12-22(25)32-26(36)16-11-21-31(32)37-29-19-9-10-20-30(29)39-34-33(37)23-13-4-7-17-27(23)38(34)28-18-8-5-14-24(28)35(39)40/h3-21H,1-2H3.
What are the key properties of 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one?
23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one has a molecular weight of 515.62 g/mol, XLogP of 8.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(9,9-dimethylfluoren-4-yl)-8,16,23-triazahexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(24),2,4,6,9,11,13,17,19,21-decaen-15-one is sourced from PubChem (CID 146638916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).