5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium

C24H15N2+ — CID 153438555

IUPAC5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium
SMILES[C+]1=Cc2c(c3c4[nH]c5ccccc5c4ccc3n2-c2ccccc2)C=C1
InChIInChI=1S/C24H15N2/c1-2-8-16(9-3-1)26-21-13-7-5-11-19(21)23-22(26)15-14-18-17-10-4-6-12-20(17)25-24(18)23/h1-6,8-15,25H/q+1
InChIKeyDFGZWNZZMPLQEY-UHFFFAOYSA-N
MW331.40 g/mol
LogP6.11
Rot. Bonds1

About 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium

5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium (PubChem CID 153438555) has the molecular formula C24H15N2+ and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium.

Molecular Properties

Compound Name5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium
PubChem CID153438555
Molecular FormulaC24H15N2+
Molecular Weight331.40 g/mol
Exact Mass331.12
IUPAC Name5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium
SMILES[C+]1=Cc2c(c3c4[nH]c5ccccc5c4ccc3n2-c2ccccc2)C=C1
InChIInChI=1S/C24H15N2/c1-2-8-16(9-3-1)26-21-13-7-5-11-19(21)23-22(26)15-14-18-17-10-4-6-12-20(17)25-24(18)23/h1-6,8-15,25H/q+1
InChIKeyDFGZWNZZMPLQEY-UHFFFAOYSA-N
XLogP6.11
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium?
The IUPAC name of 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium (CID 153438555) is 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium.
What is the SMILES notation for 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium?
The canonical SMILES for 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium is [C+]1=Cc2c(c3c4[nH]c5ccccc5c4ccc3n2-c2ccccc2)C=C1.
What is the InChIKey of 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium?
The InChIKey is DFGZWNZZMPLQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N2/c1-2-8-16(9-3-1)26-21-13-7-5-11-19(21)23-22(26)15-14-18-17-10-4-6-12-20(17)25-24(18)23/h1-6,8-15,25H/q+1.
What are the key properties of 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium?
5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium has a molecular weight of 331.40 g/mol, XLogP of 6.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,12-dihydroindolo[3,2-c]carbazol-3-ylium is sourced from PubChem (CID 153438555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).