1',5,11-tri(carbazol-9-yl)-6'-(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 146654840

IUPAC1',5,11-tri(carbazol-9-yl)-6'-(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)Oc1cccc(-n3c4ccccc4c4ccccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C83H49N7OS/c1-8-27-65-54(20-1)55-21-2-9-28-66(55)88(65)52-45-63-81(84-48-52)82-64(46-53(49-85-82)89-67-29-10-3-22-56(67)57-23-4-11-30-68(57)89)83(63)62-42-40-51(47-77(62)91-76-37-19-36-75(80(76)83)90-70-32-13-5-24-58(70)59-25-6-14-33-71(59)90)86-69-31-12-7-26-60(69)61-44-50(41-43-72(61)86)87-73-34-15-17-38-78(73)92-79-39-18-16-35-74(79)87/h1-49H
InChIKeyRXMJYHISNRJLCD-UHFFFAOYSA-N
MW1192.42 g/mol
LogP21.27
Rot. Bonds5

About 1',5,11-tri(carbazol-9-yl)-6'-(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)-6'-(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 146654840) 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)-6'-(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)-6'-(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 CID146654840
Molecular FormulaC83H49N7OS
Molecular Weight1192.42 g/mol
Exact Mass1191.37
IUPAC Name1',5,11-tri(carbazol-9-yl)-6'-(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)Oc1cccc(-n3c4ccccc4c4ccccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C83H49N7OS/c1-8-27-65-54(20-1)55-21-2-9-28-66(55)88(65)52-45-63-81(84-48-52)82-64(46-53(49-85-82)89-67-29-10-3-22-56(67)57-23-4-11-30-68(57)89)83(63)62-42-40-51(47-77(62)91-76-37-19-36-75(80(76)83)90-70-32-13-5-24-58(70)59-25-6-14-33-71(59)90)86-69-31-12-7-26-60(69)61-44-50(41-43-72(61)86)87-73-34-15-17-38-78(73)92-79-39-18-16-35-74(79)87/h1-49H
InChIKeyRXMJYHISNRJLCD-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)-6'-(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)-6'-(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)-6'-(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 146654840) is 1',5,11-tri(carbazol-9-yl)-6'-(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)-6'-(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)-6'-(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)Oc1cccc(-n3c4ccccc4c4ccccc43)c1C21c2cc(-n3c4ccccc4c4ccccc43)cnc2-c2ncc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 1',5,11-tri(carbazol-9-yl)-6'-(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 RXMJYHISNRJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49N7OS/c1-8-27-65-54(20-1)55-21-2-9-28-66(55)88(65)52-45-63-81(84-48-52)82-64(46-53(49-85-82)89-67-29-10-3-22-56(67)57-23-4-11-30-68(57)89)83(63)62-42-40-51(47-77(62)91-76-37-19-36-75(80(76)83)90-70-32-13-5-24-58(70)59-25-6-14-33-71(59)90)86-69-31-12-7-26-60(69)61-44-50(41-43-72(61)86)87-73-34-15-17-38-78(73)92-79-39-18-16-35-74(79)87/h1-49H.
What are the key properties of 1',5,11-tri(carbazol-9-yl)-6'-(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)-6'-(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)-6'-(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 146654840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).