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

C103H66N6S3 — CID 165028328

IUPAC2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine
SMILESCC1(C)c2cc(-c3nc4ccccc4nc3-c3cccc4c3sc3ccccc34)ccc2-c2cc3ccccc3cc21.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)cc3ncccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3n2)cc1
InChIInChI=1S/C39H26N2S.C38H24N2S.C26H16N2S/c1-39(2)31-22-25(18-19-26(31)30-20-23-10-3-4-11-24(23)21-32(30)39)36-37(41-34-16-7-6-15-33(34)40-36)29-14-9-13-28-27-12-5-8-17-35(27)42-38(28)29;1-3-10-25(11-4-1)37-33-21-19-29(23-34(33)39-38(40-37)26-12-5-2-6-13-26)27-14-9-15-28(22-27)30-18-20-32-31-16-7-8-17-35(31)41-36(32)24-30;1-2-8-17(9-3-1)25-20-13-7-15-27-22(20)16-23(28-25)21-12-6-11-19-18-10-4-5-14-24(18)29-26(19)21/h3-22H,1-2H3;1-24H;1-16H
InChIKeyMFZDZXBJQWVHIG-UHFFFAOYSA-N
MW1483.90 g/mol
LogP28.79
Rot. Bonds8

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

2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine (PubChem CID 165028328) has the molecular formula C103H66N6S3 and a molecular weight of 1483.90 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine
PubChem CID165028328
Molecular FormulaC103H66N6S3
Molecular Weight1483.90 g/mol
Exact Mass1482.45
IUPAC Name2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine
SMILESCC1(C)c2cc(-c3nc4ccccc4nc3-c3cccc4c3sc3ccccc34)ccc2-c2cc3ccccc3cc21.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)cc3ncccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3n2)cc1
InChIInChI=1S/C39H26N2S.C38H24N2S.C26H16N2S/c1-39(2)31-22-25(18-19-26(31)30-20-23-10-3-4-11-24(23)21-32(30)39)36-37(41-34-16-7-6-15-33(34)40-36)29-14-9-13-28-27-12-5-8-17-35(27)42-38(28)29;1-3-10-25(11-4-1)37-33-21-19-29(23-34(33)39-38(40-37)26-12-5-2-6-13-26)27-14-9-15-28(22-27)30-18-20-32-31-16-7-8-17-35(31)41-36(32)24-30;1-2-8-17(9-3-1)25-20-13-7-15-27-22(20)16-23(28-25)21-12-6-11-19-18-10-4-5-14-24(18)29-26(19)21/h3-22H,1-2H3;1-24H;1-16H
InChIKeyMFZDZXBJQWVHIG-UHFFFAOYSA-N
XLogP28.79
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001483.90
LogP ≤ 528.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
6-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline;7-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-5-naphthalen-2-yl-1,6-naphthyridine;7-(4-dibenzothiophen-1-ylphenyl)-2,4-diphenylquinazoline
CID 165094692
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
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
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline;5-dibenzothiophen-1-yl-2,3-diphenylquinoxaline;6-dibenzothiophen-1-yl-2,3-diphenylquinoxaline;7-dibenzothiophen-1-yl-5-(4-phenylphenyl)-1,6-naphthyridine;2-(4-dibenzothiophen-1-ylphenyl)-3-[3-(3-phenylphenyl)phenyl]quinoxaline
CID 167584479
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidine
CID 171583556
2-chloro-4-[4-(2-dibenzothiophen-3-ylquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-[4-(2-quinolin-5-ylbenzo[g]quinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162161171
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
18-[4-(9,9-dimethyl-7-pyridin-3-ylfluoren-2-yl)phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129119586
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 160527853

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine (CID 165028328) is 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine is CC1(C)c2cc(-c3nc4ccccc4nc3-c3cccc4c3sc3ccccc34)ccc2-c2cc3ccccc3cc21.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)cc3ncccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine?
The InChIKey is MFZDZXBJQWVHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2S.C38H24N2S.C26H16N2S/c1-39(2)31-22-25(18-19-26(31)30-20-23-10-3-4-11-24(23)21-32(30)39)36-37(41-34-16-7-6-15-33(34)40-36)29-14-9-13-28-27-12-5-8-17-35(27)42-38(28)29;1-3-10-25(11-4-1)37-33-21-19-29(23-34(33)39-38(40-37)26-12-5-2-6-13-26)27-14-9-15-28(22-27)30-18-20-32-31-16-7-8-17-35(31)41-36(32)24-30;1-2-8-17(9-3-1)25-20-13-7-15-27-22(20)16-23(28-25)21-12-6-11-19-18-10-4-5-14-24(18)29-26(19)21/h3-22H,1-2H3;1-24H;1-16H.
What are the key properties of 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine?
2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine has a molecular weight of 1483.90 g/mol, XLogP of 28.79, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine is sourced from PubChem (CID 165028328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).