11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene

C52H29N5S2 — CID 130398045

IUPAC11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene
SMILESc1ccc2c(-n3cnc4cc(-n5c6cc7c(cc6c6cccnc65)sc5cc6c(cc57)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)ccc43)cccc2c1
InChIInChI=1S/C52H29N5S2/c1-2-11-33-30(9-1)10-7-16-43(33)55-29-54-42-23-31(19-21-45(42)55)57-46-26-41-40-25-38-34-12-3-5-15-44(34)56(32-18-20-36-35-13-4-6-17-48(35)58-49(36)24-32)47(38)28-51(40)59-50(41)27-39(46)37-14-8-22-53-52(37)57/h1-29H
InChIKeyVUMCDDOIZSLFHE-UHFFFAOYSA-N
MW787.97 g/mol
LogP14.50
Rot. Bonds3

About 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene

11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene (PubChem CID 130398045) has the molecular formula C52H29N5S2 and a molecular weight of 787.97 g/mol. Its IUPAC name is 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene.

Molecular Properties

Compound Name11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene
PubChem CID130398045
Molecular FormulaC52H29N5S2
Molecular Weight787.97 g/mol
Exact Mass787.19
IUPAC Name11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene
SMILESc1ccc2c(-n3cnc4cc(-n5c6cc7c(cc6c6cccnc65)sc5cc6c(cc57)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)ccc43)cccc2c1
InChIInChI=1S/C52H29N5S2/c1-2-11-33-30(9-1)10-7-16-43(33)55-29-54-42-23-31(19-21-45(42)55)57-46-26-41-40-25-38-34-12-3-5-15-44(34)56(32-18-20-36-35-13-4-6-17-48(35)58-49(36)24-32)47(38)28-51(40)59-50(41)27-39(46)37-14-8-22-53-52(37)57/h1-29H
InChIKeyVUMCDDOIZSLFHE-UHFFFAOYSA-N
XLogP14.50
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene?
The IUPAC name of 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene (CID 130398045) is 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene.
What is the SMILES notation for 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene?
The canonical SMILES for 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene is c1ccc2c(-n3cnc4cc(-n5c6cc7c(cc6c6cccnc65)sc5cc6c(cc57)c5ccccc5n6-c5ccc6c(c5)sc5ccccc56)ccc43)cccc2c1.
What is the InChIKey of 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene?
The InChIKey is VUMCDDOIZSLFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N5S2/c1-2-11-33-30(9-1)10-7-16-43(33)55-29-54-42-23-31(19-21-45(42)55)57-46-26-41-40-25-38-34-12-3-5-15-44(34)56(32-18-20-36-35-13-4-6-17-48(35)58-49(36)24-32)47(38)28-51(40)59-50(41)27-39(46)37-14-8-22-53-52(37)57/h1-29H.
What are the key properties of 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene?
11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene has a molecular weight of 787.97 g/mol, XLogP of 14.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-dibenzothiophen-3-yl-25-(1-naphthalen-1-ylbenzimidazol-5-yl)-15-thia-11,23,25-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),19(24),20,22-dodecaene is sourced from PubChem (CID 130398045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).