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

C51H30N4O — CID 167031917

IUPAC5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C51H30N4O/c1-2-13-32-26-36(25-24-31(32)12-1)49-52-50(54-51(53-49)41-20-11-23-47-48(41)40-19-8-10-22-46(40)56-47)37-27-35-16-5-6-17-38(35)44(30-37)55-43-21-9-7-18-39(43)42-28-33-14-3-4-15-34(33)29-45(42)55/h1-30H
InChIKeySEIVEBRYPUVJGC-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

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

5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 167031917) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID167031917
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C51H30N4O/c1-2-13-32-26-36(25-24-31(32)12-1)49-52-50(54-51(53-49)41-20-11-23-47-48(41)40-19-8-10-22-46(40)56-47)37-27-35-16-5-6-17-38(35)44(30-37)55-43-21-9-7-18-39(43)42-28-33-14-3-4-15-34(33)29-45(42)55/h1-30H
InChIKeySEIVEBRYPUVJGC-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155474903
12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166915926
9-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 167031824
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
9-[4-[4-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032163
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-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[9-(4-carbazol-9-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 163654764
5-[1-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714733
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
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
12-[3-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-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 155430239

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 167031917) is 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2cc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is SEIVEBRYPUVJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-13-32-26-36(25-24-31(32)12-1)49-52-50(54-51(53-49)41-20-11-23-47-48(41)40-19-8-10-22-46(40)56-47)37-27-35-16-5-6-17-38(35)44(30-37)55-43-21-9-7-18-39(43)42-28-33-14-3-4-15-34(33)29-45(42)55/h1-30H.
What are the key properties of 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167031917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).