5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C54H35N5O — CID 169014138

IUPAC5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3cc21
InChIInChI=1S/C54H35N5O/c1-54(2)43-20-10-6-16-35(43)40-30-42-37-18-8-12-22-46(37)59(48(42)31-44(40)54)53-56-51(34-24-26-39-38-19-9-13-23-49(38)60-50(39)29-34)55-52(57-53)58-45-21-11-7-17-36(45)41-28-33(25-27-47(41)58)32-14-4-3-5-15-32/h3-31H,1-2H3
InChIKeyRPFJOUOSMJZSMH-UHFFFAOYSA-N
MW769.91 g/mol
LogP13.61
Rot. Bonds4

About 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 169014138) has the molecular formula C54H35N5O and a molecular weight of 769.91 g/mol. Its IUPAC name is 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID169014138
Molecular FormulaC54H35N5O
Molecular Weight769.91 g/mol
Exact Mass769.28
IUPAC Name5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3cc21
InChIInChI=1S/C54H35N5O/c1-54(2)43-20-10-6-16-35(43)40-30-42-37-18-8-12-22-46(37)59(48(42)31-44(40)54)53-56-51(34-24-26-39-38-19-9-13-23-49(38)60-50(39)29-34)55-52(57-53)58-45-21-11-7-17-36(45)41-28-33(25-27-47(41)58)32-14-4-3-5-15-32/h3-31H,1-2H3
InChIKeyRPFJOUOSMJZSMH-UHFFFAOYSA-N
XLogP13.61
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.91
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 140907299
5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632809
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
7,7-dimethyl-5-(3-triphenylen-2-ylphenyl)indeno[2,1-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole;7-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158509245
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223673
9-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223723
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-3-yl)carbazole
CID 170080771
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132

Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 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) is 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccc6c(c5)oc5ccccc56)nc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)n4)c3cc21.
What is the InChIKey of 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is RPFJOUOSMJZSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N5O/c1-54(2)43-20-10-6-16-35(43)40-30-42-37-18-8-12-22-46(37)59(48(42)31-44(40)54)53-56-51(34-24-26-39-38-19-9-13-23-49(38)60-50(39)29-34)55-52(57-53)58-45-21-11-7-17-36(45)41-28-33(25-27-47(41)58)32-14-4-3-5-15-32/h3-31H,1-2H3.
What are the key properties of 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 769.91 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 169014138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).