11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline

C94H58N10O2 — CID 159598510

IUPAC11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c7ncccc7nc7oc8ccccc8c67)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7oc8nc9ccccc9nc8c7c6)c5)c4)n3)cc2)cc1
InChIInChI=1S/2C47H29N5O/c1-3-12-30(13-4-1)31-23-25-33(26-24-31)45-50-44(32-14-5-2-6-15-32)51-46(52-45)37-19-10-17-35(29-37)34-16-9-18-36(28-34)41-42-38-20-7-8-22-40(38)53-47(42)49-39-21-11-27-48-43(39)41;1-3-11-30(12-4-1)31-21-23-33(24-22-31)45-50-44(32-13-5-2-6-14-32)51-46(52-45)38-18-10-17-36(28-38)34-15-9-16-35(27-34)37-25-26-42-39(29-37)43-47(53-42)49-41-20-8-7-19-40(41)48-43/h2*1-29H
InChIKeyMLDUOOAHLGAVSO-UHFFFAOYSA-N
MW1359.57 g/mol
LogP23.43
Rot. Bonds12

About 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline

11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 159598510) has the molecular formula C94H58N10O2 and a molecular weight of 1359.57 g/mol. Its IUPAC name is 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
PubChem CID159598510
Molecular FormulaC94H58N10O2
Molecular Weight1359.57 g/mol
Exact Mass1358.47
IUPAC Name11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c7ncccc7nc7oc8ccccc8c67)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7oc8nc9ccccc9nc8c7c6)c5)c4)n3)cc2)cc1
InChIInChI=1S/2C47H29N5O/c1-3-12-30(13-4-1)31-23-25-33(26-24-31)45-50-44(32-14-5-2-6-15-32)51-46(52-45)37-19-10-17-35(29-37)34-16-9-18-36(28-34)41-42-38-20-7-8-22-40(38)53-47(42)49-39-21-11-27-48-43(39)41;1-3-11-30(12-4-1)31-21-23-33(24-22-31)45-50-44(32-13-5-2-6-14-32)51-46(52-45)38-18-10-17-36(28-38)34-15-9-16-35(27-34)37-25-26-42-39(29-37)43-47(53-42)49-41-20-8-7-19-40(41)48-43/h2*1-29H
InChIKeyMLDUOOAHLGAVSO-UHFFFAOYSA-N
XLogP23.43
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001359.57
LogP ≤ 523.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline with MolForge

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Related Compounds

11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159679472
11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;3-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 161233622
2-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 161309558
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138661799
11-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 159018591
2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-a]phenazine;6-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 159756377
6-[4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene;6-[4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-12-oxa-14,19,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15(20),16,18-decaene
CID 159062749
2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273405
2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 158790533
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-bromo-[1]benzofuro[3,2-b]quinoxaline;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 161006202

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline (CID 159598510) is 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6c7ncccc7nc7oc8ccccc8c67)c5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc7oc8nc9ccccc9nc8c7c6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is MLDUOOAHLGAVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29N5O/c1-3-12-30(13-4-1)31-23-25-33(26-24-31)45-50-44(32-14-5-2-6-15-32)51-46(52-45)37-19-10-17-35(29-37)34-16-9-18-36(28-34)41-42-38-20-7-8-22-40(38)53-47(42)49-39-21-11-27-48-43(39)41;1-3-11-30(12-4-1)31-21-23-33(24-22-31)45-50-44(32-13-5-2-6-14-32)51-46(52-45)38-18-10-17-36(28-38)34-15-9-16-35(27-34)37-25-26-42-39(29-37)43-47(53-42)49-41-20-8-7-19-40(41)48-43/h2*1-29H.
What are the key properties of 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline?
11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 1359.57 g/mol, XLogP of 23.43, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 159598510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).