17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene

C35H31N3 — CID 145027931

IUPAC17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene
SMILESCC1(C)C2=C(CCC=C2)c2cc(-c3cccc4c3c3cccc5c3n4C3NC4CC=CC=C4NC53)ccc21
InChIInChI=1S/C35H31N3/c1-35(2)26-13-4-3-9-22(26)25-19-20(17-18-27(25)35)21-10-8-16-30-31(21)23-11-7-12-24-32-34(38(30)33(23)24)37-29-15-6-5-14-28(29)36-32/h4-8,10-14,16-19,29,32,34,36-37H,3,9,15H2,1-2H3
InChIKeyNDBNUJVYQWUHIS-UHFFFAOYSA-N
MW493.65 g/mol
LogP7.81
Rot. Bonds1

About 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene

17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene (PubChem CID 145027931) has the molecular formula C35H31N3 and a molecular weight of 493.65 g/mol. Its IUPAC name is 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene.

Molecular Properties

Compound Name17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene
PubChem CID145027931
Molecular FormulaC35H31N3
Molecular Weight493.65 g/mol
Exact Mass493.25
IUPAC Name17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene
SMILESCC1(C)C2=C(CCC=C2)c2cc(-c3cccc4c3c3cccc5c3n4C3NC4CC=CC=C4NC53)ccc21
InChIInChI=1S/C35H31N3/c1-35(2)26-13-4-3-9-22(26)25-19-20(17-18-27(25)35)21-10-8-16-30-31(21)23-11-7-12-24-32-34(38(30)33(23)24)37-29-15-6-5-14-28(29)36-32/h4-8,10-14,16-19,29,32,34,36-37H,3,9,15H2,1-2H3
InChIKeyNDBNUJVYQWUHIS-UHFFFAOYSA-N
XLogP7.81
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene with MolForge

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Related Compounds

9-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-10-(4-fluorophenyl)-2-naphthalen-1-ylanthracene
CID 89139270
9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
CID 89139288
14,14-dimethyl-9-[4-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16-octaene
CID 145064314
2-[2-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199241
6,9,9-trimethyl-3,4-dihydrofluorene
CID 144639578
12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163588387
5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 71016755
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-4-[9-(2-phenylethyl)-9H-fluoren-3-yl]phenyl]-5,6-dihydrofluoren-2-amine
CID 134321233
14,14-dimethyl-22-(3,4,5,6-tetrahydrophenanthridin-6-yl)-22-azapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(15),2(7),3,8,10,12,16,18,20-nonaene
CID 129306466
2-[3-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145377613
N-[(E)-1-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-2-phenylethenyl]-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89139267
9,9-dimethyl-N-phenyl-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-5,6-dihydrofluoren-2-amine
CID 170445127

Frequently Asked Questions

What is the IUPAC name of 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene?
The IUPAC name of 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene (CID 145027931) is 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene.
What is the SMILES notation for 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene?
The canonical SMILES for 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene is CC1(C)C2=C(CCC=C2)c2cc(-c3cccc4c3c3cccc5c3n4C3NC4CC=CC=C4NC53)ccc21.
What is the InChIKey of 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene?
The InChIKey is NDBNUJVYQWUHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3/c1-35(2)26-13-4-3-9-22(26)25-19-20(17-18-27(25)35)21-10-8-16-30-31(21)23-11-7-12-24-32-34(38(30)33(23)24)37-29-15-6-5-14-28(29)36-32/h4-8,10-14,16-19,29,32,34,36-37H,3,9,15H2,1-2H3.
What are the key properties of 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene?
17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene has a molecular weight of 493.65 g/mol, XLogP of 7.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,13,15,17,19(23),20-octaene is sourced from PubChem (CID 145027931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).