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

C59H35N5O2S — CID 146655980

IUPAC5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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)Oc1ccccc1N2c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Sc5ccccc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
InChIInChI=1S/C59H35N5O2S/c1-4-18-45-39(15-1)40-16-2-5-19-46(40)63(45)37-32-43-57(60-34-37)58-44(33-38(35-61-58)64-47-20-6-11-25-53(47)66-54-26-12-7-21-48(54)64)59(43)41-17-3-10-24-51(41)65-52-30-29-36(31-42(52)59)62-49-22-8-13-27-55(49)67-56-28-14-9-23-50(56)62/h1-35H
InChIKeyKCZFCHXVSXEAEG-UHFFFAOYSA-N
MW878.03 g/mol
LogP15.55
Rot. Bonds3

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

5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 146655980) has the molecular formula C59H35N5O2S and a molecular weight of 878.03 g/mol. Its IUPAC name is 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 Name5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146655980
Molecular FormulaC59H35N5O2S
Molecular Weight878.03 g/mol
Exact Mass877.25
IUPAC Name5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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)Oc1ccccc1N2c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Sc5ccccc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2
InChIInChI=1S/C59H35N5O2S/c1-4-18-45-39(15-1)40-16-2-5-19-46(40)63(45)37-32-43-57(60-34-37)58-44(33-38(35-61-58)64-47-20-6-11-25-53(47)66-54-26-12-7-21-48(54)64)59(43)41-17-3-10-24-51(41)65-52-30-29-36(31-42(52)59)62-49-22-8-13-27-55(49)67-56-28-14-9-23-50(56)62/h1-35H
InChIKeyKCZFCHXVSXEAEG-UHFFFAOYSA-N
XLogP15.55
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.03
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146655980) is 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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)Oc1ccccc1N2c1cnc2c(c1)C1(c3ccccc3Oc3ccc(N4c5ccccc5Sc5ccccc54)cc31)c1cc(-n3c4ccccc4c4ccccc43)cnc1-2.
What is the InChIKey of 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 KCZFCHXVSXEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O2S/c1-4-18-45-39(15-1)40-16-2-5-19-46(40)63(45)37-32-43-57(60-34-37)58-44(33-38(35-61-58)64-47-20-6-11-25-53(47)66-54-26-12-7-21-48(54)64)59(43)41-17-3-10-24-51(41)65-52-30-29-36(31-42(52)59)62-49-22-8-13-27-55(49)67-56-28-14-9-23-50(56)62/h1-35H.
What are the key properties of 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 878.03 g/mol, XLogP of 15.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2'-phenothiazin-10-yl-11-phenoxazin-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 146655980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).