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

C45H32N4O — CID 142571694

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)c43)n2)cc1
InChIInChI=1S/C43H26N4O.C2H6/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)47-36-21-10-9-18-33(36)34-20-11-19-32(40(34)47)30-22-24-35-38(26-30)48-37-25-23-27-12-7-8-17-31(27)39(35)37;1-2/h1-26H;1-2H3
InChIKeyLHQMWCDHLLFEQR-UHFFFAOYSA-N
MW644.78 g/mol
LogP12.05
Rot. Bonds4

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane (PubChem CID 142571694) has the molecular formula C45H32N4O and a molecular weight of 644.78 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
PubChem CID142571694
Molecular FormulaC45H32N4O
Molecular Weight644.78 g/mol
Exact Mass644.26
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)c43)n2)cc1
InChIInChI=1S/C43H26N4O.C2H6/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)47-36-21-10-9-18-33(36)34-20-11-19-32(40(34)47)30-22-24-35-38(26-30)48-37-25-23-27-12-7-8-17-31(27)39(35)37;1-2/h1-26H;1-2H3
InChIKeyLHQMWCDHLLFEQR-UHFFFAOYSA-N
XLogP12.05
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
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
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
1-(5-dibenzofuran-1-ylnaphthalen-1-yl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568873
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
1-(1,7-diphenyldibenzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309658
1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
CID 142571552

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane (CID 142571694) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane is CC.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)oc5ccc7ccccc7c56)c43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane?
The InChIKey is LHQMWCDHLLFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O.C2H6/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)47-36-21-10-9-18-33(36)34-20-11-19-32(40(34)47)30-22-24-35-38(26-30)48-37-25-23-27-12-7-8-17-31(27)39(35)37;1-2/h1-26H;1-2H3.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane has a molecular weight of 644.78 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane is sourced from PubChem (CID 142571694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).