ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole

C55H38N4O — CID 142571463

IUPACethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O.C2H6/c1-2-11-33(12-3-1)35-21-24-37(25-22-35)51-54-52(40-26-23-34-13-4-5-15-38(34)31-40)56-53(55-51)57-46-20-9-8-17-43(46)44-19-10-18-42(50(44)57)39-27-29-45-48(32-39)58-47-30-28-36-14-6-7-16-41(36)49(45)47;1-2/h1-32H;1-2H3
InChIKeyNLHVNXJFMBHOJI-UHFFFAOYSA-N
MW770.94 g/mol
LogP14.87
Rot. Bonds5

About ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole

ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole (PubChem CID 142571463) has the molecular formula C55H38N4O and a molecular weight of 770.94 g/mol. Its IUPAC name is ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole.

Molecular Properties

Compound Nameethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
PubChem CID142571463
Molecular FormulaC55H38N4O
Molecular Weight770.94 g/mol
Exact Mass770.30
IUPAC Nameethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
SMILESCC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)c54)n3)cc2)cc1
InChIInChI=1S/C53H32N4O.C2H6/c1-2-11-33(12-3-1)35-21-24-37(25-22-35)51-54-52(40-26-23-34-13-4-5-15-38(34)31-40)56-53(55-51)57-46-20-9-8-17-43(46)44-19-10-18-42(50(44)57)39-27-29-45-48(32-39)58-47-30-28-36-14-6-7-16-41(36)49(45)47;1-2/h1-32H;1-2H3
InChIKeyNLHVNXJFMBHOJI-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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
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
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
ethane;11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole
CID 142570407
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
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
CID 142570054
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
1-(1,7-diphenyldibenzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309658
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
1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568873

Frequently Asked Questions

What is the IUPAC name of ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole?
The IUPAC name of 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) is ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole.
What is the SMILES notation for ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole?
The canonical SMILES for ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole is CC.c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cccc(-c6ccc7c(c6)oc6ccc8ccccc8c67)c54)n3)cc2)cc1.
What is the InChIKey of ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole?
The InChIKey is NLHVNXJFMBHOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O.C2H6/c1-2-11-33(12-3-1)35-21-24-37(25-22-35)51-54-52(40-26-23-34-13-4-5-15-38(34)31-40)56-53(55-51)57-46-20-9-8-17-43(46)44-19-10-18-42(50(44)57)39-27-29-45-48(32-39)58-47-30-28-36-14-6-7-16-41(36)49(45)47;1-2/h1-32H;1-2H3.
What are the key properties of ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole?
ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole 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;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole is sourced from PubChem (CID 142571463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).