5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]

C149H91N11OS2 — CID 157306679

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Sc5ccccc54)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C42c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C52H32N4O.C52H32N4S.C45H27N3S/c2*1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)35-27-29-36(30-28-35)56-45-24-12-8-20-38(45)40-31-39-37-19-7-9-21-41(37)52(44(39)32-46(40)56)42-22-10-13-25-47(42)57-48-26-14-11-23-43(48)52;1-2-14-28(15-3-1)43-44(47-38-22-10-9-21-37(38)46-43)48-39-23-11-5-17-30(39)32-26-36-31(27-40(32)48)29-16-4-6-18-33(29)45(36)34-19-7-12-24-41(34)49-42-25-13-8-20-35(42)45/h2*1-32H;1-27H
InChIKeyBCODWFUTJPLAQV-UHFFFAOYSA-N
MW2115.58 g/mol
LogP36.46
Rot. Bonds10

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene] (PubChem CID 157306679) has the molecular formula C149H91N11OS2 and a molecular weight of 2115.58 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene].

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]
PubChem CID157306679
Molecular FormulaC149H91N11OS2
Molecular Weight2115.58 g/mol
Exact Mass2113.68
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Sc5ccccc54)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C42c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C52H32N4O.C52H32N4S.C45H27N3S/c2*1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)35-27-29-36(30-28-35)56-45-24-12-8-20-38(45)40-31-39-37-19-7-9-21-41(37)52(44(39)32-46(40)56)42-22-10-13-25-47(42)57-48-26-14-11-23-43(48)52;1-2-14-28(15-3-1)43-44(47-38-22-10-9-21-37(38)46-43)48-39-23-11-5-17-30(39)32-26-36-31(27-40(32)48)29-16-4-6-18-33(29)45(36)34-19-7-12-24-41(34)49-42-25-13-8-20-35(42)45/h2*1-32H;1-27H
InChIKeyBCODWFUTJPLAQV-UHFFFAOYSA-N
XLogP36.46
TPSA127.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.58
LogP ≤ 536.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene] (CID 157306679) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene].
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Oc5ccccc54)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5Sc5ccccc54)c4ccccc4-6)cc3)n2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C42c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]?
The InChIKey is BCODWFUTJPLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O.C52H32N4S.C45H27N3S/c2*1-3-15-33(16-4-1)49-53-50(34-17-5-2-6-18-34)55-51(54-49)35-27-29-36(30-28-35)56-45-24-12-8-20-38(45)40-31-39-37-19-7-9-21-41(37)52(44(39)32-46(40)56)42-22-10-13-25-47(42)57-48-26-14-11-23-43(48)52;1-2-14-28(15-3-1)43-44(47-38-22-10-9-21-37(38)46-43)48-39-23-11-5-17-30(39)32-26-36-31(27-40(32)48)29-16-4-6-18-33(29)45(36)34-19-7-12-24-41(34)49-42-25-13-8-20-35(42)45/h2*1-32H;1-27H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene]?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene] has a molecular weight of 2115.58 g/mol, XLogP of 36.46, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-thioxanthene];5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-thioxanthene] is sourced from PubChem (CID 157306679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).