7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline

C117H74N6S3 — CID 165067227

About 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline

7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline (PubChem CID 165067227) has the molecular formula C117H74N6S3 and a molecular weight of 1660.12 g/mol. Its IUPAC name is 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline.

Molecular Properties

• Compound Name: 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline
• PubChem CID: 165067227
• Molecular Formula: C117H74N6S3
• Molecular Weight: 1660.12 g/mol
• Exact Mass: 1658.51
• IUPAC Name: 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline
• SMILES: CC1(C)c2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)cc4ncccc34)ccc2-c2cc3ccccc3cc21.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3n2)cc1.c1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5sc6ccccc6c5c4)cc3)ccc2c1
• InChI: InChI=1S/C42H26N2S.C39H26N2S.C36H22N2S/c1-2-10-30(11-3-1)42-43-37-26-32(23-24-35(37)41(44-42)33-22-19-27-9-4-5-12-31(27)25-33)28-17-20-29(21-18-28)34-14-8-16-39-40(34)36-13-6-7-15-38(36)45-39;1-39(2)32-21-26(13-15-27(32)30-18-23-8-3-4-9-24(23)20-33(30)39)38-29-11-7-17-40-35(29)22-34(41-38)25-14-16-37-31(19-25)28-10-5-6-12-36(28)42-37;1-2-8-26-21-27(18-15-23(26)7-1)24-13-16-25(17-14-24)35-36(38-32-11-5-4-10-31(32)37-35)28-19-20-34-30(22-28)29-9-3-6-12-33(29)39-34/h1-26H;3-22H,1-2H3;1-22H
• InChIKey: SEBJGESWMATLSC-UHFFFAOYSA-N
• XLogP: 32.76
• TPSA: 77.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1660.12
LogP ≤ 5	32.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline?

The IUPAC name of 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline (CID 165067227) is 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline.

What is the SMILES notation for 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline?

The canonical SMILES for 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline is CC1(C)c2cc(-c3nc(-c4ccc5sc6ccccc6c5c4)cc4ncccc34)ccc2-c2cc3ccccc3cc21.c1ccc(-c2nc(-c3ccc4ccccc4c3)c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3n2)cc1.c1ccc2cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5sc6ccccc6c5c4)cc3)ccc2c1.

What is the InChIKey of 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline?

The InChIKey is SEBJGESWMATLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S.C39H26N2S.C36H22N2S/c1-2-10-30(11-3-1)42-43-37-26-32(23-24-35(37)41(44-42)33-22-19-27-9-4-5-12-31(27)25-33)28-17-20-29(21-18-28)34-14-8-16-39-40(34)36-13-6-7-15-38(36)45-39;1-39(2)32-21-26(13-15-27(32)30-18-23-8-3-4-9-24(23)20-33(30)39)38-29-11-7-17-40-35(29)22-34(41-38)25-14-16-37-31(19-25)28-10-5-6-12-36(28)42-37;1-2-8-26-21-27(18-15-23(26)7-1)24-13-16-25(17-14-24)35-36(38-32-11-5-4-10-31(32)37-35)28-19-20-34-30(22-28)29-9-3-6-12-33(29)39-34/h1-26H;3-22H,1-2H3;1-22H.

What are the key properties of 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline?

7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline has a molecular weight of 1660.12 g/mol, XLogP of 32.76, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline is sourced from PubChem (CID 165067227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).