ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole

C55H38N4O — CID 142570080

IUPACethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7oc8ccc9ccccc9c8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O.C2H6/c1-3-12-33(13-4-1)34-22-24-37(25-23-34)52-54-51(36-15-5-2-6-16-36)55-53(56-52)57-46-32-39-18-8-7-17-38(39)30-44(46)43-21-11-20-42(50(43)57)40-27-28-47-45(31-40)49-41-19-10-9-14-35(41)26-29-48(49)58-47;1-2/h1-32H;1-2H3
InChIKeyNJGMOWLDEFHQGY-UHFFFAOYSA-N
MW770.94 g/mol
LogP14.87
Rot. Bonds5

About ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole

ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole (PubChem CID 142570080) has the molecular formula C55H38N4O and a molecular weight of 770.94 g/mol. Its IUPAC name is ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Nameethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
PubChem CID142570080
Molecular FormulaC55H38N4O
Molecular Weight770.94 g/mol
Exact Mass770.30
IUPAC Nameethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7oc8ccc9ccccc9c8c7c6)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O.C2H6/c1-3-12-33(13-4-1)34-22-24-37(25-23-34)52-54-51(36-15-5-2-6-16-36)55-53(56-52)57-46-32-39-18-8-7-17-38(39)30-44(46)43-21-11-20-42(50(43)57)40-27-28-47-45(31-40)49-41-19-10-9-14-35(41)26-29-48(49)58-47;1-2/h1-32H;1-2H3
InChIKeyNJGMOWLDEFHQGY-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
CID 142571463
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
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
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
CID 142568556
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
12-(4-dibenzofuran-2-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 166916089
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

Frequently Asked Questions

What is the IUPAC name of ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
The IUPAC name of ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole (CID 142570080) is ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole.
What is the SMILES notation for ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
The canonical SMILES for ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole is CC.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7oc8ccc9ccccc9c8c7c6)c54)n3)cc2)cc1.
What is the InChIKey of ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
The InChIKey is NJGMOWLDEFHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.C2H6/c1-3-12-33(13-4-1)34-22-24-37(25-23-34)52-54-51(36-15-5-2-6-16-36)55-53(56-52)57-46-32-39-18-8-7-17-38(39)30-44(46)43-21-11-20-42(50(43)57)40-27-28-47-45(31-40)49-41-19-10-9-14-35(41)26-29-48(49)58-47;1-2/h1-32H;1-2H3.
What are the key properties of ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole?
ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole has a molecular weight of 770.94 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 142570080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).