7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole

C62H38N4O2 — CID 163654534

IUPAC7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
SMILESCC1(C)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C62H38N4O2/c1-62(2)49-29-25-37(32-48(49)56-40-14-5-3-12-35(40)24-30-50(56)62)42-18-11-19-47-57-41-15-6-4-13-36(41)26-31-51(57)66(58(42)47)61-64-59(38-22-27-45-43-16-7-9-20-52(43)67-54(45)33-38)63-60(65-61)39-23-28-46-44-17-8-10-21-53(44)68-55(46)34-39/h3-34H,1-2H3
InChIKeyIPAOSPOFMRWLEY-UHFFFAOYSA-N
MW871.01 g/mol
LogP16.38
Rot. Bonds4

About 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole

7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole (PubChem CID 163654534) has the molecular formula C62H38N4O2 and a molecular weight of 871.01 g/mol. Its IUPAC name is 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
PubChem CID163654534
Molecular FormulaC62H38N4O2
Molecular Weight871.01 g/mol
Exact Mass870.30
IUPAC Name7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
SMILESCC1(C)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C62H38N4O2/c1-62(2)49-29-25-37(32-48(49)56-40-14-5-3-12-35(40)24-30-50(56)62)42-18-11-19-47-57-41-15-6-4-13-36(41)26-31-51(57)66(58(42)47)61-64-59(38-22-27-45-43-16-7-9-20-52(43)67-54(45)33-38)63-60(65-61)39-23-28-46-44-17-8-10-21-53(44)68-55(46)34-39/h3-34H,1-2H3
InChIKeyIPAOSPOFMRWLEY-UHFFFAOYSA-N
XLogP16.38
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.01
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-(7,7-dimethylbenzo[g]fluoren-9-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142572138
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-3-yl)benzo[a]carbazole
CID 142572212
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 142571330

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole?
The IUPAC name of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole (CID 163654534) is 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole.
What is the SMILES notation for 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole?
The canonical SMILES for 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole is CC1(C)c2ccc(-c3cccc4c5c6ccccc6ccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-c6ccc7c(c6)oc6ccccc67)n5)c34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole?
The InChIKey is IPAOSPOFMRWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4O2/c1-62(2)49-29-25-37(32-48(49)56-40-14-5-3-12-35(40)24-30-50(56)62)42-18-11-19-47-57-41-15-6-4-13-36(41)26-31-51(57)66(58(42)47)61-64-59(38-22-27-45-43-16-7-9-20-52(43)67-54(45)33-38)63-60(65-61)39-23-28-46-44-17-8-10-21-53(44)68-55(46)34-39/h3-34H,1-2H3.
What are the key properties of 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole?
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole has a molecular weight of 871.01 g/mol, XLogP of 16.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole is sourced from PubChem (CID 163654534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).