11,12-diphenylindolo[2,3-i]phenanthridine

C31H20N2 — CID 129122135

IUPAC11,12-diphenylindolo[2,3-i]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c23)cc1
InChIInChI=1S/C31H20N2/c1-3-11-21(12-4-1)30-29-25(23-15-7-9-17-27(23)32-30)19-20-26-24-16-8-10-18-28(24)33(31(26)29)22-13-5-2-6-14-22/h1-20H
InChIKeyFGSYNXRJPFRUOR-UHFFFAOYSA-N
MW420.52 g/mol
LogP8.15
Rot. Bonds2

About 11,12-diphenylindolo[2,3-i]phenanthridine

11,12-diphenylindolo[2,3-i]phenanthridine (PubChem CID 129122135) has the molecular formula C31H20N2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 11,12-diphenylindolo[2,3-i]phenanthridine.

Molecular Properties

Compound Name11,12-diphenylindolo[2,3-i]phenanthridine
PubChem CID129122135
Molecular FormulaC31H20N2
Molecular Weight420.52 g/mol
Exact Mass420.16
IUPAC Name11,12-diphenylindolo[2,3-i]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c23)cc1
InChIInChI=1S/C31H20N2/c1-3-11-21(12-4-1)30-29-25(23-15-7-9-17-27(23)32-30)19-20-26-24-16-8-10-18-28(24)33(31(26)29)22-13-5-2-6-14-22/h1-20H
InChIKeyFGSYNXRJPFRUOR-UHFFFAOYSA-N
XLogP8.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
2-phenyl-5-[4-[4-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 129122867
11-(3-phenanthren-9-ylphenyl)-12-phenylindolo[2,3-i]phenanthridine
CID 129123067
11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine
CID 129122972
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
12-phenyl-11-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]indolo[2,3-i]phenanthridine
CID 129123324
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[3,2-c]quinoline
CID 146480920
3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
CID 162483678
9-phenyl-25-(4-phenylquinazolin-2-yl)-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 140913954

Frequently Asked Questions

What is the IUPAC name of 11,12-diphenylindolo[2,3-i]phenanthridine?
The IUPAC name of 11,12-diphenylindolo[2,3-i]phenanthridine (CID 129122135) is 11,12-diphenylindolo[2,3-i]phenanthridine.
What is the SMILES notation for 11,12-diphenylindolo[2,3-i]phenanthridine?
The canonical SMILES for 11,12-diphenylindolo[2,3-i]phenanthridine is c1ccc(-c2nc3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c23)cc1.
What is the InChIKey of 11,12-diphenylindolo[2,3-i]phenanthridine?
The InChIKey is FGSYNXRJPFRUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2/c1-3-11-21(12-4-1)30-29-25(23-15-7-9-17-27(23)32-30)19-20-26-24-16-8-10-18-28(24)33(31(26)29)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 11,12-diphenylindolo[2,3-i]phenanthridine?
11,12-diphenylindolo[2,3-i]phenanthridine has a molecular weight of 420.52 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-diphenylindolo[2,3-i]phenanthridine is sourced from PubChem (CID 129122135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).