11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C57H38N4O — CID 169058057

IUPAC11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)-n4c6ccccc6c6ccc7c(c64)-c4c-5cccc4C7(C)C)nc(-c4ccc5c(c4)oc4ccccc45)n3)cccc21
InChIInChI=1S/C57H38N4O/c1-56(2)41-18-8-5-15-39(41)49-40(17-12-19-42(49)56)55-59-53(58-54(60-55)32-24-26-36-35-14-7-10-22-47(35)62-48(36)30-32)31-23-25-34-37-16-11-20-43-50(37)51-44(57(43,3)4)28-27-38-33-13-6-9-21-45(33)61(52(38)51)46(34)29-31/h5-30H,1-4H3
InChIKeyGNBSRAPFTHUAKC-UHFFFAOYSA-N
MW794.96 g/mol
LogP14.46
Rot. Bonds3

About 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 169058057) has the molecular formula C57H38N4O and a molecular weight of 794.96 g/mol. Its IUPAC name is 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID169058057
Molecular FormulaC57H38N4O
Molecular Weight794.96 g/mol
Exact Mass794.30
IUPAC Name11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)-n4c6ccccc6c6ccc7c(c64)-c4c-5cccc4C7(C)C)nc(-c4ccc5c(c4)oc4ccccc45)n3)cccc21
InChIInChI=1S/C57H38N4O/c1-56(2)41-18-8-5-15-39(41)49-40(17-12-19-42(49)56)55-59-53(58-54(60-55)32-24-26-36-35-14-7-10-22-47(35)62-48(36)30-32)31-23-25-34-37-16-11-20-43-50(37)51-44(57(43,3)4)28-27-38-33-13-6-9-21-45(33)61(52(38)51)46(34)29-31/h5-30H,1-4H3
InChIKeyGNBSRAPFTHUAKC-UHFFFAOYSA-N
XLogP14.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681002
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165482
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
1-[2-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807768
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
9-[2-[4-(9,9-dimethylfluoren-4-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176851473
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-4-yl)benzo[a]carbazole;ethane
CID 142570626
9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
CID 163996729
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449

Frequently Asked Questions

What is the IUPAC name of 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 169058057) is 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)-n4c6ccccc6c6ccc7c(c64)-c4c-5cccc4C7(C)C)nc(-c4ccc5c(c4)oc4ccccc45)n3)cccc21.
What is the InChIKey of 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is GNBSRAPFTHUAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4O/c1-56(2)41-18-8-5-15-39(41)49-40(17-12-19-42(49)56)55-59-53(58-54(60-55)32-24-26-36-35-14-7-10-22-47(35)62-48(36)30-32)31-23-25-34-37-16-11-20-43-50(37)51-44(57(43,3)4)28-27-38-33-13-6-9-21-45(33)61(52(38)51)46(34)29-31/h5-30H,1-4H3.
What are the key properties of 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?
11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 794.96 g/mol, XLogP of 14.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-dibenzofuran-3-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 169058057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).