5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole

C59H35N5O — CID 167347739

IUPAC5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4c6ccccc6ccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C59H35N5O/c1-2-15-36(16-3-1)38-20-14-21-41(31-38)57-60-58(62-59(61-57)64-52-27-12-8-23-44(52)45-24-9-13-28-53(45)64)50-35-42(34-49-47-30-29-37-17-6-7-22-43(37)55(47)65-56(49)50)63-51-26-11-10-25-46(51)48-32-39-18-4-5-19-40(39)33-54(48)63/h1-35H
InChIKeyYOLAEFXKZDVGNT-UHFFFAOYSA-N
MW829.96 g/mol
LogP15.27
Rot. Bonds5

About 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole

5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole (PubChem CID 167347739) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
PubChem CID167347739
Molecular FormulaC59H35N5O
Molecular Weight829.96 g/mol
Exact Mass829.28
IUPAC Name5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4c6ccccc6ccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C59H35N5O/c1-2-15-36(16-3-1)38-20-14-21-41(31-38)57-60-58(62-59(61-57)64-52-27-12-8-23-44(52)45-24-9-13-28-53(45)64)50-35-42(34-49-47-30-29-37-17-6-7-22-43(37)55(47)65-56(49)50)63-51-26-11-10-25-46(51)48-32-39-18-4-5-19-40(39)33-54(48)63/h1-35H
InChIKeyYOLAEFXKZDVGNT-UHFFFAOYSA-N
XLogP15.27
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167424243
12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-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 155042940
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700520
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 167424215
9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170228291
5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700028
9-[4-[4-carbazol-9-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 162780660
2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736787
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 156554044
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036

Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?
The IUPAC name of 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole (CID 167347739) is 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?
The canonical SMILES for 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4c6ccccc6ccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?
The InChIKey is YOLAEFXKZDVGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-2-15-36(16-3-1)38-20-14-21-41(31-38)57-60-58(62-59(61-57)64-52-27-12-8-23-44(52)45-24-9-13-28-53(45)64)50-35-42(34-49-47-30-29-37-17-6-7-22-43(37)55(47)65-56(49)50)63-51-26-11-10-25-46(51)48-32-39-18-4-5-19-40(39)33-54(48)63/h1-35H.
What are the key properties of 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole?
5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole has a molecular weight of 829.96 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole is sourced from PubChem (CID 167347739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).