5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C147H91N9O3 — CID 159776298

IUPAC5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESC1=CC2Oc3ccccc3C3(c4ccccc4-c4cc5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5cc43)C2C=C1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C51H33N3O.C51H31N3O.C45H27N3O/c1-2-15-32(16-3-1)49-50(53-44-25-10-9-24-43(44)52-49)33-17-14-18-34(29-33)54-45-26-11-5-20-36(45)38-30-37-35-19-4-6-21-39(35)51(42(37)31-46(38)54)40-22-7-12-27-47(40)55-48-28-13-8-23-41(48)51;1-2-14-32(15-3-1)49-50(53-44-22-10-9-21-43(44)52-49)33-26-28-34(29-27-33)54-45-23-11-5-17-36(45)38-30-37-35-16-4-6-18-39(35)51(42(37)31-46(38)54)40-19-7-12-24-47(40)55-48-25-13-8-20-41(48)51;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)32-26-31-29-16-4-6-18-33(29)45(36(31)27-40(32)48)34-19-7-12-24-41(34)49-42-25-13-8-20-35(42)45/h1-31,40,47H;1-31H;1-27H
InChIKeyNGTYZIZXAGLGOX-UHFFFAOYSA-N
MW2031.40 g/mol
LogP35.27
Rot. Bonds8

About 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 159776298) has the molecular formula C147H91N9O3 and a molecular weight of 2031.40 g/mol. Its IUPAC name is 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID159776298
Molecular FormulaC147H91N9O3
Molecular Weight2031.40 g/mol
Exact Mass2029.72
IUPAC Name5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESC1=CC2Oc3ccccc3C3(c4ccccc4-c4cc5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5cc43)C2C=C1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C51H33N3O.C51H31N3O.C45H27N3O/c1-2-15-32(16-3-1)49-50(53-44-25-10-9-24-43(44)52-49)33-17-14-18-34(29-33)54-45-26-11-5-20-36(45)38-30-37-35-19-4-6-21-39(35)51(42(37)31-46(38)54)40-22-7-12-27-47(40)55-48-28-13-8-23-41(48)51;1-2-14-32(15-3-1)49-50(53-44-22-10-9-21-43(44)52-49)33-26-28-34(29-27-33)54-45-23-11-5-17-36(45)38-30-37-35-16-4-6-18-39(35)51(42(37)31-46(38)54)40-19-7-12-24-47(40)55-48-25-13-8-20-41(48)51;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)32-26-31-29-16-4-6-18-33(29)45(36(31)27-40(32)48)34-19-7-12-24-41(34)49-42-25-13-8-20-35(42)45/h1-31,40,47H;1-31H;1-27H
InChIKeyNGTYZIZXAGLGOX-UHFFFAOYSA-N
XLogP35.27
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002031.40
LogP ≤ 535.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] with MolForge

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Related Compounds

5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288387
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
21-[3-(11,11-dimethyl-6b,10a-dihydroindeno[1,2-b]carbazol-5-yl)phenyl]spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 145073700
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
CID 129133161
14-(4-carbazol-9-ylphenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130393909
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288845
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
CID 156560140

Frequently Asked Questions

What is the IUPAC name of 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 159776298) is 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is C1=CC2Oc3ccccc3C3(c4ccccc4-c4cc5c6ccccc6n(-c6cccc(-c7nc8ccccc8nc7-c7ccccc7)c6)c5cc43)C2C=C1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4Oc4ccccc43)c3ccccc3-5)cc2)cc1.c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is NGTYZIZXAGLGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O.C51H31N3O.C45H27N3O/c1-2-15-32(16-3-1)49-50(53-44-25-10-9-24-43(44)52-49)33-17-14-18-34(29-33)54-45-26-11-5-20-36(45)38-30-37-35-19-4-6-21-39(35)51(42(37)31-46(38)54)40-22-7-12-27-47(40)55-48-28-13-8-23-41(48)51;1-2-14-32(15-3-1)49-50(53-44-22-10-9-21-43(44)52-49)33-26-28-34(29-27-33)54-45-23-11-5-17-36(45)38-30-37-35-16-4-6-18-39(35)51(42(37)31-46(38)54)40-19-7-12-24-47(40)55-48-25-13-8-20-41(48)51;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)32-26-31-29-16-4-6-18-33(29)45(36(31)27-40(32)48)34-19-7-12-24-41(34)49-42-25-13-8-20-35(42)45/h1-31,40,47H;1-31H;1-27H.
What are the key properties of 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 2031.40 g/mol, XLogP of 35.27, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[3-(3-phenylquinoxalin-2-yl)phenyl]spiro[4a,9a-dihydroxanthene-9,7'-indeno[2,1-b]carbazole];5-[4-(3-phenylquinoxalin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene];5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 159776298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).