5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C57H32N4O2 — CID 167044059

IUPAC5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3c4ccccc4ccc23)c1-c1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C57H32N4O2/c1-2-15-36-32-49-45(30-35(36)14-1)40-19-7-9-22-47(40)61(49)48-28-27-43-42-26-24-34-13-4-6-18-39(34)53(42)63-54(43)52(48)57-59-55(37-25-29-51-46(31-37)41-20-8-10-23-50(41)62-51)58-56(60-57)44-21-11-16-33-12-3-5-17-38(33)44/h1-32H
InChIKeyNVPNRKJOJJUXCB-UHFFFAOYSA-N
MW804.91 g/mol
LogP15.23
Rot. Bonds4

About 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 167044059) has the molecular formula C57H32N4O2 and a molecular weight of 804.91 g/mol. Its IUPAC name is 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
PubChem CID167044059
Molecular FormulaC57H32N4O2
Molecular Weight804.91 g/mol
Exact Mass804.25
IUPAC Name5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3c4ccccc4ccc23)c1-c1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C57H32N4O2/c1-2-15-36-32-49-45(30-35(36)14-1)40-19-7-9-22-47(40)61(49)48-28-27-43-42-26-24-34-13-4-6-18-39(34)53(42)63-54(43)52(48)57-59-55(37-25-29-51-46(31-37)41-20-8-10-23-50(41)62-51)58-56(60-57)44-21-11-16-33-12-3-5-17-38(33)44/h1-32H
InChIKeyNVPNRKJOJJUXCB-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

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Related Compounds

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-[4-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 167347702
5-[4-(4-dibenzothiophen-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 166700106
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-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714677
5-[10-[4-(6-methyl-6H-benzo[c]chromen-9-yl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 166699304
5-[4-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042447
5-[4-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347729
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167348048
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347943
5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167347699
5-[7-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 164715019

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The IUPAC name of 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 167044059) is 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The canonical SMILES for 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2c(oc3c4ccccc4ccc23)c1-c1nc(-c2ccc3oc4ccccc4c3c2)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The InChIKey is NVPNRKJOJJUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O2/c1-2-15-36-32-49-45(30-35(36)14-1)40-19-7-9-22-47(40)61(49)48-28-27-43-42-26-24-34-13-4-6-18-39(34)53(42)63-54(43)52(48)57-59-55(37-25-29-51-46(31-37)41-20-8-10-23-50(41)62-51)58-56(60-57)44-21-11-16-33-12-3-5-17-38(33)44/h1-32H.
What are the key properties of 5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
5-[10-(4-dibenzofuran-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-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-2-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 167044059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).