9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine

C25H15ClN2 — CID 138662122

IUPAC9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine
SMILESClc1ccc2c(c1)[nH]c1c2ccc2c3ccccc3c(-c3ccccc3)nc21
InChIInChI=1S/C25H15ClN2/c26-16-10-11-18-21-13-12-20-17-8-4-5-9-19(17)23(15-6-2-1-3-7-15)28-25(20)24(21)27-22(18)14-16/h1-14,27H
InChIKeyPLTYRQPYKIYKKQ-UHFFFAOYSA-N
MW378.86 g/mol
LogP7.34
Rot. Bonds1

About 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine

9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine (PubChem CID 138662122) has the molecular formula C25H15ClN2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine.

Molecular Properties

Compound Name9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine
PubChem CID138662122
Molecular FormulaC25H15ClN2
Molecular Weight378.86 g/mol
Exact Mass378.09
IUPAC Name9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine
SMILESClc1ccc2c(c1)[nH]c1c2ccc2c3ccccc3c(-c3ccccc3)nc21
InChIInChI=1S/C25H15ClN2/c26-16-10-11-18-21-13-12-20-17-8-4-5-9-19(17)23(15-6-2-1-3-7-15)28-25(20)24(21)27-22(18)14-16/h1-14,27H
InChIKeyPLTYRQPYKIYKKQ-UHFFFAOYSA-N
XLogP7.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine?
The IUPAC name of 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine (CID 138662122) is 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine.
What is the SMILES notation for 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine?
The canonical SMILES for 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine is Clc1ccc2c(c1)[nH]c1c2ccc2c3ccccc3c(-c3ccccc3)nc21.
What is the InChIKey of 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine?
The InChIKey is PLTYRQPYKIYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN2/c26-16-10-11-18-21-13-12-20-17-8-4-5-9-19(17)23(15-6-2-1-3-7-15)28-25(20)24(21)27-22(18)14-16/h1-14,27H.
What are the key properties of 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine?
9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine has a molecular weight of 378.86 g/mol, XLogP of 7.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-13-phenyl-11H-indolo[3,2-c]phenanthridine is sourced from PubChem (CID 138662122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).