5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole

C53H30N4O2 — CID 142570024

IUPAC5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cc5ccccc5cc4c4cccc(-c5c6ccccc6cc6c5oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C53H30N4O2/c1-2-13-31(14-3-1)51-54-52(35-25-26-39-37-19-8-10-23-45(37)58-47(39)30-35)56-53(55-51)57-44-29-33-16-5-4-15-32(33)27-42(44)40-21-12-22-41(49(40)57)48-36-18-7-6-17-34(36)28-43-38-20-9-11-24-46(38)59-50(43)48/h1-30H
InChIKeyYEKSUJSVIQHAMQ-UHFFFAOYSA-N
MW754.85 g/mol
LogP14.07
Rot. Bonds4

About 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole

5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole (PubChem CID 142570024) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
PubChem CID142570024
Molecular FormulaC53H30N4O2
Molecular Weight754.85 g/mol
Exact Mass754.24
IUPAC Name5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cc5ccccc5cc4c4cccc(-c5c6ccccc6cc6c5oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C53H30N4O2/c1-2-13-31(14-3-1)51-54-52(35-25-26-39-37-19-8-10-23-45(37)58-47(39)30-35)56-53(55-51)57-44-29-33-16-5-4-15-32(33)27-42(44)40-21-12-22-41(49(40)57)48-36-18-7-6-17-34(36)28-43-38-20-9-11-24-46(38)59-50(43)48/h1-30H
InChIKeyYEKSUJSVIQHAMQ-UHFFFAOYSA-N
XLogP14.07
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
CID 142570201
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
CID 142570633
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707
7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
CID 142571759
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
CID 142571675
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole?
The IUPAC name of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole (CID 142570024) is 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cc5ccccc5cc4c4cccc(-c5c6ccccc6cc6c5oc5ccccc56)c43)n2)cc1.
What is the InChIKey of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole?
The InChIKey is YEKSUJSVIQHAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-13-31(14-3-1)51-54-52(35-25-26-39-37-19-8-10-23-45(37)58-47(39)30-35)56-53(55-51)57-44-29-33-16-5-4-15-32(33)27-42(44)40-21-12-22-41(49(40)57)48-36-18-7-6-17-34(36)28-43-38-20-9-11-24-46(38)59-50(43)48/h1-30H.
What are the key properties of 5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole?
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole has a molecular weight of 754.85 g/mol, XLogP of 14.07, 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-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole is sourced from PubChem (CID 142570024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).