3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

C72H44N6OS — CID 146655974

IUPAC3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(c1)Oc1cc(N3c4ccccc4Sc4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H44N6OS/c1-7-23-58-44(17-1)37-45-18-2-8-24-59(45)75(58)46-33-35-54-66(40-46)79-67-41-47(76-64-29-13-15-31-68(64)80-69-32-16-14-30-65(69)76)34-36-55(67)72(54)56-38-48(77-60-25-9-3-19-50(60)51-20-4-10-26-61(51)77)42-73-70(56)71-57(72)39-49(43-74-71)78-62-27-11-5-21-52(62)53-22-6-12-28-63(53)78/h1-36,38-43H,37H2
InChIKeyDYWFPIQNVKDBPD-UHFFFAOYSA-N
MW1041.25 g/mol
LogP18.45
Rot. Bonds4

About 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]

3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146655974) has the molecular formula C72H44N6OS and a molecular weight of 1041.25 g/mol. Its IUPAC name is 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146655974
Molecular FormulaC72H44N6OS
Molecular Weight1041.25 g/mol
Exact Mass1040.33
IUPAC Name3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Cc1ccccc1N2c1ccc2c(c1)Oc1cc(N3c4ccccc4Sc4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C72H44N6OS/c1-7-23-58-44(17-1)37-45-18-2-8-24-59(45)75(58)46-33-35-54-66(40-46)79-67-41-47(76-64-29-13-15-31-68(64)80-69-32-16-14-30-65(69)76)34-36-55(67)72(54)56-38-48(77-60-25-9-3-19-50(60)51-20-4-10-26-61(51)77)42-73-70(56)71-57(72)39-49(43-74-71)78-62-27-11-5-21-52(62)53-22-6-12-28-63(53)78/h1-36,38-43H,37H2
InChIKeyDYWFPIQNVKDBPD-UHFFFAOYSA-N
XLogP18.45
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.25
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The IUPAC name of 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146655974) is 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].
What is the SMILES notation for 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The canonical SMILES for 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Cc1ccccc1N2c1ccc2c(c1)Oc1cc(N3c4ccccc4Sc4ccccc43)ccc1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is DYWFPIQNVKDBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N6OS/c1-7-23-58-44(17-1)37-45-18-2-8-24-59(45)75(58)46-33-35-54-66(40-46)79-67-41-47(76-64-29-13-15-31-68(64)80-69-32-16-14-30-65(69)76)34-36-55(67)72(54)56-38-48(77-60-25-9-3-19-50(60)51-20-4-10-26-61(51)77)42-73-70(56)71-57(72)39-49(43-74-71)78-62-27-11-5-21-52(62)53-22-6-12-28-63(53)78/h1-36,38-43H,37H2.
What are the key properties of 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] has a molecular weight of 1041.25 g/mol, XLogP of 18.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(9H-acridin-10-yl)-5,11-di(carbazol-9-yl)-6'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is sourced from PubChem (CID 146655974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).