6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline

C256H166N18 — CID 159856241

IUPAC6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
SMILESc1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccccn5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccncc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3nc2-c2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccccn5)ccc3-4)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccnc5)ccc3-4)cc2)cc1
InChIInChI=1S/2C50H31N3.C45H29N3.3C37H25N3/c1-2-12-33(13-3-1)48-49(53-47-20-9-8-19-46(47)52-48)34-23-21-32(22-24-34)35-25-27-39-40-28-26-36(45-18-10-11-29-51-45)31-44(40)50(43(39)30-35)41-16-6-4-14-37(41)38-15-5-7-17-42(38)50;1-2-11-33(12-3-1)48-49(53-47-19-9-8-18-46(47)52-48)34-22-20-32(21-23-34)35-24-26-40-41-27-25-36(37-13-10-28-51-31-37)30-45(41)50(44(40)29-35)42-16-6-4-14-38(42)39-15-5-7-17-43(39)50;1-2-14-33(15-3-1)44-45(34-25-23-32(24-26-34)41-22-8-9-27-46-41)48-43-29-40(38-21-11-17-31-13-5-7-19-36(31)38)39(28-42(43)47-44)37-20-10-16-30-12-4-6-18-35(30)37;1-4-12-26(13-5-1)31-24-34-35(25-32(31)27-14-6-2-7-15-27)40-37(36(39-34)29-16-8-3-9-17-29)30-21-19-28(20-22-30)33-18-10-11-23-38-33;1-4-11-27(12-5-1)32-23-34-35(24-33(32)28-13-6-2-7-14-28)40-37(36(39-34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)31-17-10-22-38-25-31;1-4-10-28(11-5-1)32-24-34-35(25-33(32)29-12-6-2-7-13-29)40-37(36(39-34)30-14-8-3-9-15-30)31-18-16-26(17-19-31)27-20-22-38-23-21-27/h2*1-31H;1-29H;3*1-25H
InChIKeyNQOJAHKRNSYVEM-UHFFFAOYSA-N
MW3494.27 g/mol
LogP63.82
Rot. Bonds28

About 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline

6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline (PubChem CID 159856241) has the molecular formula C256H166N18 and a molecular weight of 3494.27 g/mol. Its IUPAC name is 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline.

Molecular Properties

Compound Name6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
PubChem CID159856241
Molecular FormulaC256H166N18
Molecular Weight3494.27 g/mol
Exact Mass3491.35
IUPAC Name6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline
SMILESc1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccccn5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccncc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3nc2-c2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccccn5)ccc3-4)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccnc5)ccc3-4)cc2)cc1
InChIInChI=1S/2C50H31N3.C45H29N3.3C37H25N3/c1-2-12-33(13-3-1)48-49(53-47-20-9-8-19-46(47)52-48)34-23-21-32(22-24-34)35-25-27-39-40-28-26-36(45-18-10-11-29-51-45)31-44(40)50(43(39)30-35)41-16-6-4-14-37(41)38-15-5-7-17-42(38)50;1-2-11-33(12-3-1)48-49(53-47-19-9-8-18-46(47)52-48)34-22-20-32(21-23-34)35-24-26-40-41-27-25-36(37-13-10-28-51-31-37)30-45(41)50(44(40)29-35)42-16-6-4-14-38(42)39-15-5-7-17-43(39)50;1-2-14-33(15-3-1)44-45(34-25-23-32(24-26-34)41-22-8-9-27-46-41)48-43-29-40(38-21-11-17-31-13-5-7-19-36(31)38)39(28-42(43)47-44)37-20-10-16-30-12-4-6-18-35(30)37;1-4-12-26(13-5-1)31-24-34-35(25-32(31)27-14-6-2-7-15-27)40-37(36(39-34)29-16-8-3-9-17-29)30-21-19-28(20-22-30)33-18-10-11-23-38-33;1-4-11-27(12-5-1)32-23-34-35(24-33(32)28-13-6-2-7-14-28)40-37(36(39-34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)31-17-10-22-38-25-31;1-4-10-28(11-5-1)32-24-34-35(25-33(32)29-12-6-2-7-13-29)40-37(36(39-34)30-14-8-3-9-15-30)31-18-16-26(17-19-31)27-20-22-38-23-21-27/h2*1-31H;1-29H;3*1-25H
InChIKeyNQOJAHKRNSYVEM-UHFFFAOYSA-N
XLogP63.82
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms274
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003494.27
LogP ≤ 563.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline?
The IUPAC name of 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline (CID 159856241) is 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline.
What is the SMILES notation for 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline?
The canonical SMILES for 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline is c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccccn5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5cccnc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccc(-c5ccncc5)cc4)nc3cc2-c2ccccc2)cc1.c1ccc(-c2nc3cc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3nc2-c2ccc(-c3ccccn3)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccccn5)ccc3-4)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccnc5)ccc3-4)cc2)cc1.
What is the InChIKey of 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline?
The InChIKey is NQOJAHKRNSYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H31N3.C45H29N3.3C37H25N3/c1-2-12-33(13-3-1)48-49(53-47-20-9-8-19-46(47)52-48)34-23-21-32(22-24-34)35-25-27-39-40-28-26-36(45-18-10-11-29-51-45)31-44(40)50(43(39)30-35)41-16-6-4-14-37(41)38-15-5-7-17-42(38)50;1-2-11-33(12-3-1)48-49(53-47-19-9-8-18-46(47)52-48)34-22-20-32(21-23-34)35-24-26-40-41-27-25-36(37-13-10-28-51-31-37)30-45(41)50(44(40)29-35)42-16-6-4-14-38(42)39-15-5-7-17-43(39)50;1-2-14-33(15-3-1)44-45(34-25-23-32(24-26-34)41-22-8-9-27-46-41)48-43-29-40(38-21-11-17-31-13-5-7-19-36(31)38)39(28-42(43)47-44)37-20-10-16-30-12-4-6-18-35(30)37;1-4-12-26(13-5-1)31-24-34-35(25-32(31)27-14-6-2-7-15-27)40-37(36(39-34)29-16-8-3-9-17-29)30-21-19-28(20-22-30)33-18-10-11-23-38-33;1-4-11-27(12-5-1)32-23-34-35(24-33(32)28-13-6-2-7-14-28)40-37(36(39-34)29-15-8-3-9-16-29)30-20-18-26(19-21-30)31-17-10-22-38-25-31;1-4-10-28(11-5-1)32-24-34-35(25-33(32)29-12-6-2-7-13-29)40-37(36(39-34)30-14-8-3-9-15-30)31-18-16-26(17-19-31)27-20-22-38-23-21-27/h2*1-31H;1-29H;3*1-25H.
What are the key properties of 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline?
6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline has a molecular weight of 3494.27 g/mol, XLogP of 63.82, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dinaphthalen-1-yl-2-phenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2-phenyl-3-[4-(7'-pyridin-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2-phenyl-3-[4-(7'-pyridin-3-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]quinoxaline;2,6,7-triphenyl-3-(4-pyridin-2-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-3-ylphenyl)quinoxaline;2,6,7-triphenyl-3-(4-pyridin-4-ylphenyl)quinoxaline is sourced from PubChem (CID 159856241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).