spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]

C31H21N — CID 155130061

IUPACspiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESC1=CC2C(c3ccccc3C23c2ccccc2-c2ccccc23)c2[nH]c3ccccc3c21
InChIInChI=1S/C31H21N/c1-5-13-24-19(9-1)20-10-2-6-14-25(20)31(24)26-15-7-3-12-23(26)29-27(31)18-17-22-21-11-4-8-16-28(21)32-30(22)29/h1-18,27,29,32H
InChIKeyQEGXSKURDUKIRD-UHFFFAOYSA-N
MW407.52 g/mol
LogP7.27
Rot. Bonds

About spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]

spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene] (PubChem CID 155130061) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene].

Molecular Properties

Compound Namespiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]
PubChem CID155130061
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC Namespiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]
SMILESC1=CC2C(c3ccccc3C23c2ccccc2-c2ccccc23)c2[nH]c3ccccc3c21
InChIInChI=1S/C31H21N/c1-5-13-24-19(9-1)20-10-2-6-14-25(20)31(24)26-15-7-3-12-23(26)29-27(31)18-17-22-21-11-4-8-16-28(21)32-30(22)29/h1-18,27,29,32H
InChIKeyQEGXSKURDUKIRD-UHFFFAOYSA-N
XLogP7.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]?
The IUPAC name of spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene] (CID 155130061) is spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene].
What is the SMILES notation for spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]?
The canonical SMILES for spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene] is C1=CC2C(c3ccccc3C23c2ccccc2-c2ccccc23)c2[nH]c3ccccc3c21.
What is the InChIKey of spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]?
The InChIKey is QEGXSKURDUKIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N/c1-5-13-24-19(9-1)20-10-2-6-14-25(20)31(24)26-15-7-3-12-23(26)29-27(31)18-17-22-21-11-4-8-16-28(21)32-30(22)29/h1-18,27,29,32H.
What are the key properties of spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene]?
spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene] has a molecular weight of 407.52 g/mol, XLogP of 7.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[11b,12-dihydro-6aH-indeno[1,2-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 155130061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).