2',5,11-tri(carbazol-9-yl)-7'-(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 146656037

IUPAC2',5,11-tri(carbazol-9-yl)-7'-(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-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C83H49N7OS/c1-8-26-67-55(19-1)56-20-2-9-27-68(56)86(67)51-38-41-77-63(44-51)83(64-45-52(39-42-78(64)91-77)87-73-32-14-7-25-61(73)62-43-50(37-40-74(62)87)88-75-33-15-17-35-79(75)92-80-36-18-16-34-76(80)88)65-46-53(89-69-28-10-3-21-57(69)58-22-4-11-29-70(58)89)48-84-81(65)82-66(83)47-54(49-85-82)90-71-30-12-5-23-59(71)60-24-6-13-31-72(60)90/h1-49H
InChIKeyMJAPYVKRTZGRQP-UHFFFAOYSA-N
MW1192.42 g/mol
LogP21.27
Rot. Bonds5

About 2',5,11-tri(carbazol-9-yl)-7'-(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]

2',5,11-tri(carbazol-9-yl)-7'-(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 146656037) has the molecular formula C83H49N7OS and a molecular weight of 1192.42 g/mol. Its IUPAC name is 2',5,11-tri(carbazol-9-yl)-7'-(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 Name2',5,11-tri(carbazol-9-yl)-7'-(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 CID146656037
Molecular FormulaC83H49N7OS
Molecular Weight1192.42 g/mol
Exact Mass1191.37
IUPAC Name2',5,11-tri(carbazol-9-yl)-7'-(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-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C83H49N7OS/c1-8-26-67-55(19-1)56-20-2-9-27-68(56)86(67)51-38-41-77-63(44-51)83(64-45-52(39-42-78(64)91-77)87-73-32-14-7-25-61(73)62-43-50(37-40-74(62)87)88-75-33-15-17-35-79(75)92-80-36-18-16-34-76(80)88)65-46-53(89-69-28-10-3-21-57(69)58-22-4-11-29-70(58)89)48-84-81(65)82-66(83)47-54(49-85-82)90-71-30-12-5-23-59(71)60-24-6-13-31-72(60)90/h1-49H
InChIKeyMJAPYVKRTZGRQP-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 2',5,11-tri(carbazol-9-yl)-7'-(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 2',5,11-tri(carbazol-9-yl)-7'-(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 2',5,11-tri(carbazol-9-yl)-7'-(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 146656037) is 2',5,11-tri(carbazol-9-yl)-7'-(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 2',5,11-tri(carbazol-9-yl)-7'-(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 2',5,11-tri(carbazol-9-yl)-7'-(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-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2',5,11-tri(carbazol-9-yl)-7'-(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 MJAPYVKRTZGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49N7OS/c1-8-26-67-55(19-1)56-20-2-9-27-68(56)86(67)51-38-41-77-63(44-51)83(64-45-52(39-42-78(64)91-77)87-73-32-14-7-25-61(73)62-43-50(37-40-74(62)87)88-75-33-15-17-35-79(75)92-80-36-18-16-34-76(80)88)65-46-53(89-69-28-10-3-21-57(69)58-22-4-11-29-70(58)89)48-84-81(65)82-66(83)47-54(49-85-82)90-71-30-12-5-23-59(71)60-24-6-13-31-72(60)90/h1-49H.
What are the key properties of 2',5,11-tri(carbazol-9-yl)-7'-(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]?
2',5,11-tri(carbazol-9-yl)-7'-(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 2',5,11-tri(carbazol-9-yl)-7'-(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 146656037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).