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

C59H35N5OS — CID 146654797

IUPAC1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3cccnc3-c3ncccc31)c1c(cccc1-n1c3ccccc3c3ccccc31)O2
InChIInChI=1S/C59H35N5OS/c1-4-20-43-37(15-1)38-16-2-5-21-44(38)63(43)49-25-11-27-51-55(49)59(41-18-13-33-60-57(41)58-42(59)19-14-34-61-58)56-50(26-12-28-52(56)65-51)64-45-22-6-3-17-39(45)40-35-36(31-32-46(40)64)62-47-23-7-9-29-53(47)66-54-30-10-8-24-48(54)62/h1-35H
InChIKeyUHSALVCAOXBQSU-UHFFFAOYSA-N
MW862.03 g/mol
LogP15.07
Rot. Bonds3

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

1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (PubChem CID 146654797) has the molecular formula C59H35N5OS and a molecular weight of 862.03 g/mol. Its IUPAC name is 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene].

Molecular Properties

Compound Name1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
PubChem CID146654797
Molecular FormulaC59H35N5OS
Molecular Weight862.03 g/mol
Exact Mass861.26
IUPAC Name1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3cccnc3-c3ncccc31)c1c(cccc1-n1c3ccccc3c3ccccc31)O2
InChIInChI=1S/C59H35N5OS/c1-4-20-43-37(15-1)38-16-2-5-21-44(38)63(43)49-25-11-27-51-55(49)59(41-18-13-33-60-57(41)58-42(59)19-14-34-61-58)56-50(26-12-28-52(56)65-51)64-45-22-6-3-17-39(45)40-35-36(31-32-46(40)64)62-47-23-7-9-29-53(47)66-54-30-10-8-24-48(54)62/h1-35H
InChIKeyUHSALVCAOXBQSU-UHFFFAOYSA-N
XLogP15.07
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.03
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] (CID 146654797) is 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene] is c1ccc2c(c1)Sc1ccccc1N2c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C1(c3cccnc3-c3ncccc31)c1c(cccc1-n1c3ccccc3c3ccccc31)O2.
What is the InChIKey of 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
The InChIKey is UHSALVCAOXBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5OS/c1-4-20-43-37(15-1)38-16-2-5-21-44(38)63(43)49-25-11-27-51-55(49)59(41-18-13-33-60-57(41)58-42(59)19-14-34-61-58)56-50(26-12-28-52(56)65-51)64-45-22-6-3-17-39(45)40-35-36(31-32-46(40)64)62-47-23-7-9-29-53(47)66-54-30-10-8-24-48(54)62/h1-35H.
What are the key properties of 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]?
1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 862.03 g/mol, XLogP of 15.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-carbazol-9-yl-8'-(3-phenothiazin-10-ylcarbazol-9-yl)spiro[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 146654797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).