9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

C54H36N4O — CID 130209455

IUPAC9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3cc21
InChIInChI=1S/C54H36N4O/c1-54(2)45-30-36(38-23-14-24-42-41-22-10-12-26-49(41)59-50(38)42)27-28-39(45)43-31-44-40-21-9-11-25-47(40)58(48(44)32-46(43)54)53-56-51(34-17-7-4-8-18-34)55-52(57-53)37-20-13-19-35(29-37)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyZECOYYFNMOBRSQ-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole

9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (PubChem CID 130209455) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
PubChem CID130209455
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3cc21
InChIInChI=1S/C54H36N4O/c1-54(2)45-30-36(38-23-14-24-42-41-22-10-12-26-49(41)59-50(38)42)27-28-39(45)43-31-44-40-21-9-11-25-47(40)58(48(44)32-46(43)54)53-56-51(34-17-7-4-8-18-34)55-52(57-53)37-20-13-19-35(29-37)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyZECOYYFNMOBRSQ-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzofuran-4-yl-11,11-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 130209419
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
2-dibenzofuran-4-yl-4-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166025643
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
CID 165082751
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The IUPAC name of 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole (CID 130209455) is 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3cc21.
What is the InChIKey of 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
The InChIKey is ZECOYYFNMOBRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)45-30-36(38-23-14-24-42-41-22-10-12-26-49(41)59-50(38)42)27-28-39(45)43-31-44-40-21-9-11-25-47(40)58(48(44)32-46(43)54)53-56-51(34-17-7-4-8-18-34)55-52(57-53)37-20-13-19-35(29-37)33-15-5-3-6-16-33/h3-32H,1-2H3.
What are the key properties of 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole?
9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole has a molecular weight of 756.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole is sourced from PubChem (CID 130209455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).