3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C35H23N3O — CID 122524244

IUPAC3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccccc45)c3c21
InChIInChI=1S/C35H23N3O/c1-35(2)27-17-28-20(18-36-19-37-28)16-26(27)23-14-15-24-21-8-3-5-11-29(21)38(33(24)32(23)35)30-12-7-10-25-22-9-4-6-13-31(22)39-34(25)30/h3-19H,1-2H3
InChIKeyVCHIYOAQMXESDE-UHFFFAOYSA-N
MW501.59 g/mol
LogP8.93
Rot. Bonds1

About 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 122524244) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
PubChem CID122524244
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccccc45)c3c21
InChIInChI=1S/C35H23N3O/c1-35(2)27-17-28-20(18-36-19-37-28)16-26(27)23-14-15-24-21-8-3-5-11-29(21)38(33(24)32(23)35)30-12-7-10-25-22-9-4-6-13-31(22)39-34(25)30/h3-19H,1-2H3
InChIKeyVCHIYOAQMXESDE-UHFFFAOYSA-N
XLogP8.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 161273274
24,24-dimethyl-3-(1,3,5-triazin-2-yl)-3-azahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464216
3-dibenzothiophen-4-yl-24,24-dimethyl-3,20-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122524240
12-[4-dibenzofuran-2-yl-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163847238
9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-17,19,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122524298
12-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole;12-dibenzofuran-4-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 160883753
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215
8-dibenzofuran-4-yl-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 118020112
12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
CID 155159700
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 122524244) is 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccccc45)c3c21.
What is the InChIKey of 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
The InChIKey is VCHIYOAQMXESDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c1-35(2)27-17-28-20(18-36-19-37-28)16-26(27)23-14-15-24-21-8-3-5-11-29(21)38(33(24)32(23)35)30-12-7-10-25-22-9-4-6-13-31(22)39-34(25)30/h3-19H,1-2H3.
What are the key properties of 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?
3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 501.59 g/mol, XLogP of 8.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122524244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).