N-phenylbenzo[cd]indol-2-amine

C17H12N2 — CID 802502

IUPACN-phenylbenzo[cd]indol-2-amine
SMILESc1ccc(NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C17H12N2/c1-2-8-13(9-3-1)18-17-14-10-4-6-12-7-5-11-15(19-17)16(12)14/h1-11H,(H,18,19)
InChIKeyPZDWMECEPSATFL-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.34
Rot. Bonds1

About N-phenylbenzo[cd]indol-2-amine

N-phenylbenzo[cd]indol-2-amine (PubChem CID 802502) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is N-phenylbenzo[cd]indol-2-amine.

Molecular Properties

Compound NameN-phenylbenzo[cd]indol-2-amine
PubChem CID802502
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC NameN-phenylbenzo[cd]indol-2-amine
SMILESc1ccc(NC2=Nc3cccc4cccc2c34)cc1
InChIInChI=1S/C17H12N2/c1-2-8-13(9-3-1)18-17-14-10-4-6-12-7-5-11-15(19-17)16(12)14/h1-11H,(H,18,19)
InChIKeyPZDWMECEPSATFL-UHFFFAOYSA-N
XLogP4.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylbenzo[cd]indol-2-amine?
The IUPAC name of N-phenylbenzo[cd]indol-2-amine (CID 802502) is N-phenylbenzo[cd]indol-2-amine.
What is the SMILES notation for N-phenylbenzo[cd]indol-2-amine?
The canonical SMILES for N-phenylbenzo[cd]indol-2-amine is c1ccc(NC2=Nc3cccc4cccc2c34)cc1.
What is the InChIKey of N-phenylbenzo[cd]indol-2-amine?
The InChIKey is PZDWMECEPSATFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-8-13(9-3-1)18-17-14-10-4-6-12-7-5-11-15(19-17)16(12)14/h1-11H,(H,18,19).
What are the key properties of N-phenylbenzo[cd]indol-2-amine?
N-phenylbenzo[cd]indol-2-amine has a molecular weight of 244.30 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylbenzo[cd]indol-2-amine is sourced from PubChem (CID 802502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).