3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline

C98H58N6O2S — CID 162229273

IUPAC3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3cc4oc5ccccc5c4cc3c2)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3cc4sc5ccccc5c4cc3c2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3cc4oc5ccccc5c4cc3c2)cc1
InChIInChI=1S/C34H20N2O.C34H20N2S.C30H18N2O/c1-2-9-22(10-3-1)32-33(35-29-17-16-21-8-4-5-11-26(21)34(29)36-32)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31;1-2-9-22(10-3-1)32-33(36-34-26-11-5-4-8-21(26)16-17-29(34)35-32)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31;1-2-8-19(9-3-1)29-30(32-26-12-6-5-11-25(26)31-29)21-15-14-20-18-28-24(17-22(20)16-21)23-10-4-7-13-27(23)33-28/h2*1-20H;1-18H
InChIKeyZVERLTGSCRNTIO-UHFFFAOYSA-N
MW1383.65 g/mol
LogP26.82
Rot. Bonds6

About 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline

3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline (PubChem CID 162229273) has the molecular formula C98H58N6O2S and a molecular weight of 1383.65 g/mol. Its IUPAC name is 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline.

Molecular Properties

Compound Name3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline
PubChem CID162229273
Molecular FormulaC98H58N6O2S
Molecular Weight1383.65 g/mol
Exact Mass1382.43
IUPAC Name3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline
SMILESc1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3cc4oc5ccccc5c4cc3c2)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3cc4sc5ccccc5c4cc3c2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3cc4oc5ccccc5c4cc3c2)cc1
InChIInChI=1S/C34H20N2O.C34H20N2S.C30H18N2O/c1-2-9-22(10-3-1)32-33(35-29-17-16-21-8-4-5-11-26(21)34(29)36-32)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31;1-2-9-22(10-3-1)32-33(36-34-26-11-5-4-8-21(26)16-17-29(34)35-32)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31;1-2-8-19(9-3-1)29-30(32-26-12-6-5-11-25(26)31-29)21-15-14-20-18-28-24(17-22(20)16-21)23-10-4-7-13-27(23)33-28/h2*1-20H;1-18H
InChIKeyZVERLTGSCRNTIO-UHFFFAOYSA-N
XLogP26.82
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001383.65
LogP ≤ 526.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline with MolForge

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Related Compounds

2-dibenzofuran-1-yl-3-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)quinoxaline;2-naphthalen-2-yl-3-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinoxaline;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-3-phenylbenzo[f]quinoxaline;2-(3-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-3-phenylquinoxaline;2-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-3-phenylquinoxaline
CID 158311838
3-naphtho[7,6-b][1]benzothiol-7-yl-2-phenylbenzo[f]quinoxaline
CID 155473714
2-naphtho[1,2-b][1]benzofuran-3-yl-3-phenylbenzo[f]quinoxaline
CID 155473882
3-naphtho[1,2-b][1]benzofuran-3-yl-2-phenylbenzo[f]quinoxaline
CID 155473874
2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;2-naphtho[2,1-b][1]benzothiol-4-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
CID 159213259
2-dibenzothiophen-1-yl-3-naphtho[2,1-b][1]benzothiol-4-ylquinoxaline;2-(9,9-dimethylfluoren-3-yl)-3-naphtho[6,7-b][1]benzofuran-10-ylbenzo[f]quinoxaline;2-naphtho[6,7-b][1]benzofuran-10-yl-3-phenylbenzo[f]quinoxaline;3-naphtho[2,1-b][1]benzothiol-4-yl-2-phenylbenzo[f]quinoxaline
CID 158271079
2-dibenzofuran-2-yl-4-(3-naphtho[3,2-b][1]benzothiol-8-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(3-naphtho[7,6-b][1]benzothiol-7-ylphenyl)-6-phenyl-1,3,5-triazine;2-[3-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157489549
2-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-3-phenylbenzo[f]quinoxaline
CID 155473925
3-naphtho[2,3-b][1]benzofuran-9-yl-1-phenylbenzo[f]quinazoline
CID 155474012
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
3-phenyl-2-(22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)benzo[f]quinoxaline
CID 164721432
7-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185619

Frequently Asked Questions

What is the IUPAC name of 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline?
The IUPAC name of 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline (CID 162229273) is 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline.
What is the SMILES notation for 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline?
The canonical SMILES for 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline is c1ccc(-c2nc3c(ccc4ccccc43)nc2-c2ccc3cc4oc5ccccc5c4cc3c2)cc1.c1ccc(-c2nc3ccc4ccccc4c3nc2-c2ccc3cc4sc5ccccc5c4cc3c2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3cc4oc5ccccc5c4cc3c2)cc1.
What is the InChIKey of 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline?
The InChIKey is ZVERLTGSCRNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O.C34H20N2S.C30H18N2O/c1-2-9-22(10-3-1)32-33(35-29-17-16-21-8-4-5-11-26(21)34(29)36-32)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31;1-2-9-22(10-3-1)32-33(36-34-26-11-5-4-8-21(26)16-17-29(34)35-32)24-15-14-23-20-31-28(19-25(23)18-24)27-12-6-7-13-30(27)37-31;1-2-8-19(9-3-1)29-30(32-26-12-6-5-11-25(26)31-29)21-15-14-20-18-28-24(17-22(20)16-21)23-10-4-7-13-27(23)33-28/h2*1-20H;1-18H.
What are the key properties of 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline?
3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline has a molecular weight of 1383.65 g/mol, XLogP of 26.82, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphtho[2,3-b][1]benzofuran-9-yl-2-phenylbenzo[f]quinoxaline;2-naphtho[2,3-b][1]benzofuran-9-yl-3-phenylquinoxaline;2-naphtho[2,3-b][1]benzothiol-9-yl-3-phenylbenzo[f]quinoxaline is sourced from PubChem (CID 162229273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).