7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline

C108H68N6S3 — CID 165020673

IUPAC7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3n2)cc1
InChIInChI=1S/2C38H24N2S.C32H20N2S/c1-3-9-27(10-4-1)37-32-21-19-30(24-34(32)39-38(40-37)28-11-5-2-6-12-28)26-17-15-25(16-18-26)29-20-22-36-33(23-29)31-13-7-8-14-35(31)41-36;1-2-9-25(10-3-1)28-11-8-12-29(23-28)26-17-19-27(20-18-26)37-38(40-34-15-6-5-14-33(34)39-37)30-21-22-32-31-13-4-7-16-35(31)41-36(32)24-30;1-3-9-21(10-4-1)31-26-17-15-24(20-28(26)33-32(34-31)22-11-5-2-6-12-22)23-16-18-30-27(19-23)25-13-7-8-14-29(25)35-30/h2*1-24H;1-20H
InChIKeyLCKCJRCMGNXBMA-UHFFFAOYSA-N
MW1545.98 g/mol
LogP30.33
Rot. Bonds11

About 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline

7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline (PubChem CID 165020673) has the molecular formula C108H68N6S3 and a molecular weight of 1545.98 g/mol. Its IUPAC name is 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline.

Molecular Properties

Compound Name7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline
PubChem CID165020673
Molecular FormulaC108H68N6S3
Molecular Weight1545.98 g/mol
Exact Mass1544.47
IUPAC Name7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3n2)cc1
InChIInChI=1S/2C38H24N2S.C32H20N2S/c1-3-9-27(10-4-1)37-32-21-19-30(24-34(32)39-38(40-37)28-11-5-2-6-12-28)26-17-15-25(16-18-26)29-20-22-36-33(23-29)31-13-7-8-14-35(31)41-36;1-2-9-25(10-3-1)28-11-8-12-29(23-28)26-17-19-27(20-18-26)37-38(40-34-15-6-5-14-33(34)39-37)30-21-22-32-31-13-4-7-16-35(31)41-36(32)24-30;1-3-9-21(10-4-1)31-26-17-15-24(20-28(26)33-32(34-31)22-11-5-2-6-12-22)23-16-18-30-27(19-23)25-13-7-8-14-29(25)35-30/h2*1-24H;1-20H
InChIKeyLCKCJRCMGNXBMA-UHFFFAOYSA-N
XLogP30.33
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001545.98
LogP ≤ 530.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline with MolForge

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Related Compounds

7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline
CID 165069250
2-[7-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]dibenzothiophen-3-yl]-4-(3-phenylphenyl)quinazoline
CID 118640887
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
4-phenyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)quinazoline
CID 147261870
21-[4-(3-phenylphenyl)quinazolin-2-yl]-10-thia-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 145067411
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155050241
6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159683948

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline?
The IUPAC name of 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline (CID 165020673) is 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline.
What is the SMILES notation for 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline?
The canonical SMILES for 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline is c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3n2)cc1.
What is the InChIKey of 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline?
The InChIKey is LCKCJRCMGNXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H24N2S.C32H20N2S/c1-3-9-27(10-4-1)37-32-21-19-30(24-34(32)39-38(40-37)28-11-5-2-6-12-28)26-17-15-25(16-18-26)29-20-22-36-33(23-29)31-13-7-8-14-35(31)41-36;1-2-9-25(10-3-1)28-11-8-12-29(23-28)26-17-19-27(20-18-26)37-38(40-34-15-6-5-14-33(34)39-37)30-21-22-32-31-13-4-7-16-35(31)41-36(32)24-30;1-3-9-21(10-4-1)31-26-17-15-24(20-28(26)33-32(34-31)22-11-5-2-6-12-22)23-16-18-30-27(19-23)25-13-7-8-14-29(25)35-30/h2*1-24H;1-20H.
What are the key properties of 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline?
7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline has a molecular weight of 1545.98 g/mol, XLogP of 30.33, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline is sourced from PubChem (CID 165020673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).