5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C39H23N3O — CID 130288845

IUPAC5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4cnc5ccccc5n4)c3cc21
InChIInChI=1S/C39H23N3O/c1-3-13-28-24(11-1)26-21-27-25-12-2-8-18-34(25)42(38-23-40-32-16-6-7-17-33(32)41-38)35(27)22-31(26)39(28)29-14-4-9-19-36(29)43-37-20-10-5-15-30(37)39/h1-23H
InChIKeyKVQALPRMAJTDPF-UHFFFAOYSA-N
MW549.63 g/mol
LogP9.20
Rot. Bonds1

About 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 130288845) has the molecular formula C39H23N3O and a molecular weight of 549.63 g/mol. Its IUPAC name is 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID130288845
Molecular FormulaC39H23N3O
Molecular Weight549.63 g/mol
Exact Mass549.18
IUPAC Name5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4cnc5ccccc5n4)c3cc21
InChIInChI=1S/C39H23N3O/c1-3-13-28-24(11-1)26-21-27-25-12-2-8-18-34(25)42(38-23-40-32-16-6-7-17-33(32)41-38)35(27)22-31(26)39(28)29-14-4-9-19-36(29)43-37-20-10-5-15-30(37)39/h1-23H
InChIKeyKVQALPRMAJTDPF-UHFFFAOYSA-N
XLogP9.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288387
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-phenylquinazolin-2-yl)spiro[indeno[1,2-b]carbazole-11,9'-xanthene]
CID 129133161
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
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
5-pyrimidin-2-yl-5'-(1,3,5-triazin-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 66805164
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
5-[3-(4-phenyl-1,4-dihydroquinazolin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880673

Frequently Asked Questions

What is the IUPAC name of 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 130288845) is 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4cnc5ccccc5n4)c3cc21.
What is the InChIKey of 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is KVQALPRMAJTDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O/c1-3-13-28-24(11-1)26-21-27-25-12-2-8-18-34(25)42(38-23-40-32-16-6-7-17-33(32)41-38)35(27)22-31(26)39(28)29-14-4-9-19-36(29)43-37-20-10-5-15-30(37)39/h1-23H.
What are the key properties of 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 549.63 g/mol, XLogP of 9.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinoxalin-2-ylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 130288845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).