1',5,11-tri(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]

C83H49N7OS — CID 146654799

IUPAC1',5,11-tri(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(c3cc(-n4c5ccccc5c5ccccc54)cnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc31)c1c(cccc1-n1c3ccccc3c3ccccc31)O2
InChIInChI=1S/C83H49N7OS/c1-8-28-63-53(21-1)54-22-2-9-29-64(54)87(63)51-46-61-81(84-48-51)82-62(47-52(49-85-82)88-65-30-10-3-23-55(65)56-24-4-11-31-66(56)88)83(61)79-73(89-67-32-12-5-25-57(67)58-26-6-13-33-68(58)89)37-19-39-75(79)91-76-40-20-38-74(80(76)83)90-69-34-14-7-27-59(69)60-45-50(43-44-70(60)90)86-71-35-15-17-41-77(71)92-78-42-18-16-36-72(78)86/h1-49H
InChIKeyOYKXEPGVMMKAFJ-UHFFFAOYSA-N
MW1192.42 g/mol
LogP21.27
Rot. Bonds5

About 1',5,11-tri(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',5,11-tri(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 146654799) has the molecular formula C83H49N7OS and a molecular weight of 1192.42 g/mol. Its IUPAC name is 1',5,11-tri(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',5,11-tri(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 CID146654799
Molecular FormulaC83H49N7OS
Molecular Weight1192.42 g/mol
Exact Mass1191.37
IUPAC Name1',5,11-tri(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(c3cc(-n4c5ccccc5c5ccccc54)cnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc31)c1c(cccc1-n1c3ccccc3c3ccccc31)O2
InChIInChI=1S/C83H49N7OS/c1-8-28-63-53(21-1)54-22-2-9-29-64(54)87(63)51-46-61-81(84-48-51)82-62(47-52(49-85-82)88-65-30-10-3-23-55(65)56-24-4-11-31-66(56)88)83(61)79-73(89-67-32-12-5-25-57(67)58-26-6-13-33-68(58)89)37-19-39-75(79)91-76-40-20-38-74(80(76)83)90-69-34-14-7-27-59(69)60-45-50(43-44-70(60)90)86-71-35-15-17-41-77(71)92-78-42-18-16-36-72(78)86/h1-49H
InChIKeyOYKXEPGVMMKAFJ-UHFFFAOYSA-N
XLogP21.27
TPSA57.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.42
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1',5,11-tri(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',5,11-tri(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',5,11-tri(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 146654799) is 1',5,11-tri(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',5,11-tri(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',5,11-tri(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(c3cc(-n4c5ccccc5c5ccccc54)cnc3-c3ncc(-n4c5ccccc5c5ccccc54)cc31)c1c(cccc1-n1c3ccccc3c3ccccc31)O2.
What is the InChIKey of 1',5,11-tri(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 OYKXEPGVMMKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49N7OS/c1-8-28-63-53(21-1)54-22-2-9-29-64(54)87(63)51-46-61-81(84-48-51)82-62(47-52(49-85-82)88-65-30-10-3-23-55(65)56-24-4-11-31-66(56)88)83(61)79-73(89-67-32-12-5-25-57(67)58-26-6-13-33-68(58)89)37-19-39-75(79)91-76-40-20-38-74(80(76)83)90-69-34-14-7-27-59(69)60-45-50(43-44-70(60)90)86-71-35-15-17-41-77(71)92-78-42-18-16-36-72(78)86/h1-49H.
What are the key properties of 1',5,11-tri(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',5,11-tri(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 1192.42 g/mol, XLogP of 21.27, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1',5,11-tri(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 146654799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).