7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole

C59H36N4O — CID 142571675

IUPAC7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-14-37(15-4-1)39-26-30-42(31-27-39)57-60-58(43-32-28-40(29-33-43)38-16-5-2-6-17-38)62-59(61-57)63-51-35-34-41-18-7-9-20-45(41)53(51)48-23-13-24-49(55(48)63)54-46-21-10-8-19-44(46)36-50-47-22-11-12-25-52(47)64-56(50)54/h1-36H
InChIKeyUJPYKLQIFYVMOE-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.51
Rot. Bonds6

About 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole (PubChem CID 142571675) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
PubChem CID142571675
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-14-37(15-4-1)39-26-30-42(31-27-39)57-60-58(43-32-28-40(29-33-43)38-16-5-2-6-17-38)62-59(61-57)63-51-35-34-41-18-7-9-20-45(41)53(51)48-23-13-24-49(55(48)63)54-46-21-10-8-19-44(46)36-50-47-22-11-12-25-52(47)64-56(50)54/h1-36H
InChIKeyUJPYKLQIFYVMOE-UHFFFAOYSA-N
XLogP15.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
CID 142571759
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
CID 142570201
11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
CID 142570633
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
CID 142570024
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
8-dibenzofuran-1-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142571739
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
12-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163629647
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
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole?
The IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole (CID 142571675) is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole.
What is the SMILES notation for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole?
The canonical SMILES for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccc6ccccc6c5c5cccc(-c6c7ccccc7cc7c6oc6ccccc67)c54)n3)cc2)cc1.
What is the InChIKey of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole?
The InChIKey is UJPYKLQIFYVMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-14-37(15-4-1)39-26-30-42(31-27-39)57-60-58(43-32-28-40(29-33-43)38-16-5-2-6-17-38)62-59(61-57)63-51-35-34-41-18-7-9-20-45(41)53(51)48-23-13-24-49(55(48)63)54-46-21-10-8-19-44(46)36-50-47-22-11-12-25-52(47)64-56(50)54/h1-36H.
What are the key properties of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole?
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole has a molecular weight of 816.96 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole is sourced from PubChem (CID 142571675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).