9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole

C37H23NO — CID 139052249

IUPAC9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole
SMILESc1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H23NO/c1-5-15-29-25(11-1)26-12-2-6-16-30(26)37(29)31-17-7-10-20-35(31)39-36-22-21-24(23-32(36)37)38-33-18-8-3-13-27(33)28-14-4-9-19-34(28)38/h1-23H
InChIKeyRHTVQSKAKAANCJ-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.25
Rot. Bonds1

About 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole

9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole (PubChem CID 139052249) has the molecular formula C37H23NO and a molecular weight of 497.60 g/mol. Its IUPAC name is 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole.

Molecular Properties

Compound Name9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole
PubChem CID139052249
Molecular FormulaC37H23NO
Molecular Weight497.60 g/mol
Exact Mass497.18
IUPAC Name9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole
SMILESc1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C37H23NO/c1-5-15-29-25(11-1)26-12-2-6-16-30(26)37(29)31-17-7-10-20-35(31)39-36-22-21-24(23-32(36)37)38-33-18-8-3-13-27(33)28-14-4-9-19-34(28)38/h1-23H
InChIKeyRHTVQSKAKAANCJ-UHFFFAOYSA-N
XLogP9.25
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole?
The IUPAC name of 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole (CID 139052249) is 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole.
What is the SMILES notation for 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole?
The canonical SMILES for 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole is c1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccccc43)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole?
The InChIKey is RHTVQSKAKAANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO/c1-5-15-29-25(11-1)26-12-2-6-16-30(26)37(29)31-17-7-10-20-35(31)39-36-22-21-24(23-32(36)37)38-33-18-8-3-13-27(33)28-14-4-9-19-34(28)38/h1-23H.
What are the key properties of 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole?
9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole has a molecular weight of 497.60 g/mol, XLogP of 9.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-spiro[fluorene-9,9'-xanthene]-2'-ylcarbazole is sourced from PubChem (CID 139052249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).