5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

C57H32N4O2 — CID 166700023

IUPAC5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc7ccccc7c6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C57H32N4O2/c1-2-14-35-28-38(25-24-33(35)12-1)55-58-56(60-57(59-55)44-21-11-20-43-42-19-8-10-23-50(42)62-53(43)44)39-30-46-52-40-17-6-5-13-34(40)26-27-51(52)63-54(46)49(32-39)61-47-22-9-7-18-41(47)45-29-36-15-3-4-16-37(36)31-48(45)61/h1-32H
InChIKeyZJMNAGIVWFWZEA-UHFFFAOYSA-N
MW804.91 g/mol
LogP15.23
Rot. Bonds4

About 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole

5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (PubChem CID 166700023) has the molecular formula C57H32N4O2 and a molecular weight of 804.91 g/mol. Its IUPAC name is 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
PubChem CID166700023
Molecular FormulaC57H32N4O2
Molecular Weight804.91 g/mol
Exact Mass804.25
IUPAC Name5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc7ccccc7c6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1
InChIInChI=1S/C57H32N4O2/c1-2-14-35-28-38(25-24-33(35)12-1)55-58-56(60-57(59-55)44-21-11-20-43-42-19-8-10-23-50(42)62-53(43)44)39-30-46-52-40-17-6-5-13-34(40)26-27-51(52)63-54(46)49(32-39)61-47-22-9-7-18-41(47)45-29-36-15-3-4-16-37(36)31-48(45)61/h1-32H
InChIKeyZJMNAGIVWFWZEA-UHFFFAOYSA-N
XLogP15.23
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.91
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167424160
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[9-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699291
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
5-[2-(4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 167043329
5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 167031917
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
11-[7-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[a]carbazole
CID 167032824

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The IUPAC name of 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole (CID 166700023) is 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The canonical SMILES for 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccc7ccccc7c6c5c4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.
What is the InChIKey of 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
The InChIKey is ZJMNAGIVWFWZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O2/c1-2-14-35-28-38(25-24-33(35)12-1)55-58-56(60-57(59-55)44-21-11-20-43-42-19-8-10-23-50(42)62-53(43)44)39-30-46-52-40-17-6-5-13-34(40)26-27-51(52)63-54(46)49(32-39)61-47-22-9-7-18-41(47)45-29-36-15-3-4-16-37(36)31-48(45)61/h1-32H.
What are the key properties of 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole?
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole has a molecular weight of 804.91 g/mol, XLogP of 15.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 166700023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).