2-carbazol-9-yl-6-methoxy-9H-carbazole

C25H18N2O — CID 139191516

IUPAC2-carbazol-9-yl-6-methoxy-9H-carbazole
SMILESCOc1ccc2[nH]c3cc(-n4c5ccccc5c5ccccc54)ccc3c2c1
InChIInChI=1S/C25H18N2O/c1-28-17-11-13-22-21(15-17)18-12-10-16(14-23(18)26-22)27-24-8-4-2-6-19(24)20-7-3-5-9-25(20)27/h2-15,26H,1H3
InChIKeyRFAQDQLSNGXFJP-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.43
Rot. Bonds2

About 2-carbazol-9-yl-6-methoxy-9H-carbazole

2-carbazol-9-yl-6-methoxy-9H-carbazole (PubChem CID 139191516) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-methoxy-9H-carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-6-methoxy-9H-carbazole
PubChem CID139191516
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name2-carbazol-9-yl-6-methoxy-9H-carbazole
SMILESCOc1ccc2[nH]c3cc(-n4c5ccccc5c5ccccc54)ccc3c2c1
InChIInChI=1S/C25H18N2O/c1-28-17-11-13-22-21(15-17)18-12-10-16(14-23(18)26-22)27-24-8-4-2-6-19(24)20-7-3-5-9-25(20)27/h2-15,26H,1H3
InChIKeyRFAQDQLSNGXFJP-UHFFFAOYSA-N
XLogP6.43
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-methoxy-9H-carbazole?
The IUPAC name of 2-carbazol-9-yl-6-methoxy-9H-carbazole (CID 139191516) is 2-carbazol-9-yl-6-methoxy-9H-carbazole.
What is the SMILES notation for 2-carbazol-9-yl-6-methoxy-9H-carbazole?
The canonical SMILES for 2-carbazol-9-yl-6-methoxy-9H-carbazole is COc1ccc2[nH]c3cc(-n4c5ccccc5c5ccccc54)ccc3c2c1.
What is the InChIKey of 2-carbazol-9-yl-6-methoxy-9H-carbazole?
The InChIKey is RFAQDQLSNGXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-28-17-11-13-22-21(15-17)18-12-10-16(14-23(18)26-22)27-24-8-4-2-6-19(24)20-7-3-5-9-25(20)27/h2-15,26H,1H3.
What are the key properties of 2-carbazol-9-yl-6-methoxy-9H-carbazole?
2-carbazol-9-yl-6-methoxy-9H-carbazole has a molecular weight of 362.43 g/mol, XLogP of 6.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-methoxy-9H-carbazole is sourced from PubChem (CID 139191516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).