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

C45H27N3O — CID 130288387

IUPAC5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(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/h1-27H
InChIKeyITRDYSLPSYEMGG-UHFFFAOYSA-N
MW625.73 g/mol
LogP10.86
Rot. Bonds2

About 5-(3-phenylquinoxalin-2-yl)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 130288387) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID130288387
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(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/h1-27H
InChIKeyITRDYSLPSYEMGG-UHFFFAOYSA-N
XLogP10.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
CID 129133161
5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288845
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
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
12,12,13,13-tetramethyl-17-(3-phenylquinoxalin-2-yl)-17-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(14),2,4,6,8,10,15,18,20,22,24-undecaene
CID 163479723
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
21-[4-[10-(4-phenylphenyl)anthracen-9-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'-xanthene]
CID 146615620
17,21-diphenylspiro[6-oxa-17,21-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.022,34.024,32.026,31]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,22,24(32),26,28,30,33-pentadecaene-25,9'-xanthene];12-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(4-phenylquinazolin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene];12-(3-phenylquinoxalin-2-yl)spiro[12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene-16,9'-xanthene]
CID 158635630
CID 134551656
CID 134551656

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 130288387) is 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is ITRDYSLPSYEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-14-28(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/h1-27H.
What are the key properties of 5-(3-phenylquinoxalin-2-yl)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 625.73 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 130288387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).