5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole

C44H26N6S2 — CID 66585212

IUPAC5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1cncc(C2=NC(n3c4ccccc4c4c5sc6ccccc6c5ccc43)N=C(n3c4ccccc4c4c5sc6ccccc6c5ccc43)N2)c1
InChIInChI=1S/C44H26N6S2/c1-5-15-32-30(13-1)38-34(21-19-28-26-11-3-7-17-36(26)51-40(28)38)49(32)43-46-42(25-10-9-23-45-24-25)47-44(48-43)50-33-16-6-2-14-31(33)39-35(50)22-20-29-27-12-4-8-18-37(27)52-41(29)39/h1-24,43H,(H,46,47,48)
InChIKeyGCNVXCWQTPWCMA-UHFFFAOYSA-N
MW702.87 g/mol
LogP11.44
Rot. Bonds2

About 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole

5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 66585212) has the molecular formula C44H26N6S2 and a molecular weight of 702.87 g/mol. Its IUPAC name is 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID66585212
Molecular FormulaC44H26N6S2
Molecular Weight702.87 g/mol
Exact Mass702.17
IUPAC Name5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1cncc(C2=NC(n3c4ccccc4c4c5sc6ccccc6c5ccc43)N=C(n3c4ccccc4c4c5sc6ccccc6c5ccc43)N2)c1
InChIInChI=1S/C44H26N6S2/c1-5-15-32-30(13-1)38-34(21-19-28-26-11-3-7-17-36(26)51-40(28)38)49(32)43-46-42(25-10-9-23-45-24-25)47-44(48-43)50-33-16-6-2-14-31(33)39-35(50)22-20-29-27-12-4-8-18-37(27)52-41(29)39/h1-24,43H,(H,46,47,48)
InChIKeyGCNVXCWQTPWCMA-UHFFFAOYSA-N
XLogP11.44
TPSA59.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.87
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole (CID 66585212) is 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole is c1cncc(C2=NC(n3c4ccccc4c4c5sc6ccccc6c5ccc43)N=C(n3c4ccccc4c4c5sc6ccccc6c5ccc43)N2)c1.
What is the InChIKey of 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is GCNVXCWQTPWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6S2/c1-5-15-32-30(13-1)38-34(21-19-28-26-11-3-7-17-36(26)51-40(28)38)49(32)43-46-42(25-10-9-23-45-24-25)47-44(48-43)50-33-16-6-2-14-31(33)39-35(50)22-20-29-27-12-4-8-18-37(27)52-41(29)39/h1-24,43H,(H,46,47,48).
What are the key properties of 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole?
5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 702.87 g/mol, XLogP of 11.44, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-pyridin-3-yl-1,4-dihydro-1,3,5-triazin-4-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 66585212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).