5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole

C50H34N4O — CID 170074597

IUPAC5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C50H34N4O/c1-50(2)40-21-11-9-18-36(40)46-45(50)37-19-10-12-22-41(37)54(46)35-27-24-31(25-28-35)34-26-29-42-39(30-34)44-38(20-13-23-43(44)55-42)49-52-47(32-14-5-3-6-15-32)51-48(53-49)33-16-7-4-8-17-33/h3-30H,1-2H3
InChIKeyDYKNZPXHBCXUSQ-UHFFFAOYSA-N
MW706.85 g/mol
LogP12.69
Rot. Bonds5

About 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole

5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole (PubChem CID 170074597) has the molecular formula C50H34N4O and a molecular weight of 706.85 g/mol. Its IUPAC name is 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole.

Molecular Properties

Compound Name5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole
PubChem CID170074597
Molecular FormulaC50H34N4O
Molecular Weight706.85 g/mol
Exact Mass706.27
IUPAC Name5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole
SMILESCC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C50H34N4O/c1-50(2)40-21-11-9-18-36(40)46-45(50)37-19-10-12-22-41(37)54(46)35-27-24-31(25-28-35)34-26-29-42-39(30-34)44-38(20-13-23-43(44)55-42)49-52-47(32-14-5-3-6-15-32)51-48(53-49)33-16-7-4-8-17-33/h3-30H,1-2H3
InChIKeyDYKNZPXHBCXUSQ-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 168768795
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 118507775
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
9-[9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]carbazole
CID 165166763
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole?
The IUPAC name of 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole (CID 170074597) is 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole.
What is the SMILES notation for 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole?
The canonical SMILES for 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole is CC1(C)c2ccccc2-c2c1c1ccccc1n2-c1ccc(-c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.
What is the InChIKey of 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole?
The InChIKey is DYKNZPXHBCXUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O/c1-50(2)40-21-11-9-18-36(40)46-45(50)37-19-10-12-22-41(37)54(46)35-27-24-31(25-28-35)34-26-29-42-39(30-34)44-38(20-13-23-43(44)55-42)49-52-47(32-14-5-3-6-15-32)51-48(53-49)33-16-7-4-8-17-33/h3-30H,1-2H3.
What are the key properties of 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole?
5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole has a molecular weight of 706.85 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-10,10-dimethylindeno[1,2-b]indole is sourced from PubChem (CID 170074597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).