15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene

C48H31N3S — CID 145180036

IUPAC15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc2sc4ccccc4c2cc1n3-c1ccc(-c2nc3ccccc3n3c2cc2ccccc23)cc1
InChIInChI=1S/C48H31N3S/c1-48(2)37-14-6-4-12-31(37)33-25-42-34(24-38(33)48)35-27-46-36(32-13-5-10-18-45(32)52-46)26-43(35)50(42)30-21-19-28(20-22-30)47-44-23-29-11-3-8-16-40(29)51(44)41-17-9-7-15-39(41)49-47/h3-27H,1-2H3
InChIKeyQFGQHGFMJPYPEX-UHFFFAOYSA-N
MW681.86 g/mol
LogP13.08
Rot. Bonds2

About 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene

15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene (PubChem CID 145180036) has the molecular formula C48H31N3S and a molecular weight of 681.86 g/mol. Its IUPAC name is 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene.

Molecular Properties

Compound Name15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
PubChem CID145180036
Molecular FormulaC48H31N3S
Molecular Weight681.86 g/mol
Exact Mass681.22
IUPAC Name15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc2sc4ccccc4c2cc1n3-c1ccc(-c2nc3ccccc3n3c2cc2ccccc23)cc1
InChIInChI=1S/C48H31N3S/c1-48(2)37-14-6-4-12-31(37)33-25-42-34(24-38(33)48)35-27-46-36(32-13-5-10-18-45(32)52-46)26-43(35)50(42)30-21-19-28(20-22-30)47-44-23-29-11-3-8-16-40(29)51(44)41-17-9-7-15-39(41)49-47/h3-27H,1-2H3
InChIKeyQFGQHGFMJPYPEX-UHFFFAOYSA-N
XLogP13.08
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene with MolForge

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Related Compounds

15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25-phenyl-5-thia-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 145180265
15-[4-[4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]-19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 89492523
32-(4-dibenzothiophen-2-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527974
11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 130333924
15,25,25-trimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449904
5-(7-dibenzothiophen-3-yldibenzothiophen-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 170279174
5-[4-(benzimidazolo[2,1-a]isoquinolin-6-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90086732
6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
CID 145180261
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]carbazol-2-amine
CID 129123874
9-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)carbazole
CID 58501473
11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 157480045

Frequently Asked Questions

What is the IUPAC name of 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The IUPAC name of 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene (CID 145180036) is 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene.
What is the SMILES notation for 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The canonical SMILES for 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc2sc4ccccc4c2cc1n3-c1ccc(-c2nc3ccccc3n3c2cc2ccccc23)cc1.
What is the InChIKey of 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
The InChIKey is QFGQHGFMJPYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3S/c1-48(2)37-14-6-4-12-31(37)33-25-42-34(24-38(33)48)35-27-46-36(32-13-5-10-18-45(32)52-46)26-43(35)50(42)30-21-19-28(20-22-30)47-44-23-29-11-3-8-16-40(29)51(44)41-17-9-7-15-39(41)49-47/h3-27H,1-2H3.
What are the key properties of 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene?
15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene has a molecular weight of 681.86 g/mol, XLogP of 13.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25,25-dimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene is sourced from PubChem (CID 145180036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).