11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine

C40H25N3 — CID 129122972

IUPAC11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5cccc(-c6ccc7ccccc7n6)c5)c4c32)cc1
InChIInChI=1S/C40H25N3/c1-2-14-29(15-3-1)43-37-20-9-6-17-31(37)33-23-22-32-30-16-5-8-19-36(30)42-39(38(32)40(33)43)28-13-10-12-27(25-28)35-24-21-26-11-4-7-18-34(26)41-35/h1-25H
InChIKeyJJOOGPGYODETHL-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.37
Rot. Bonds3

About 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine

11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine (PubChem CID 129122972) has the molecular formula C40H25N3 and a molecular weight of 547.66 g/mol. Its IUPAC name is 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine.

Molecular Properties

Compound Name11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine
PubChem CID129122972
Molecular FormulaC40H25N3
Molecular Weight547.66 g/mol
Exact Mass547.20
IUPAC Name11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5cccc(-c6ccc7ccccc7n6)c5)c4c32)cc1
InChIInChI=1S/C40H25N3/c1-2-14-29(15-3-1)43-37-20-9-6-17-31(37)33-23-22-32-30-16-5-8-19-36(30)42-39(38(32)40(33)43)28-13-10-12-27(25-28)35-24-21-26-11-4-7-18-34(26)41-35/h1-25H
InChIKeyJJOOGPGYODETHL-UHFFFAOYSA-N
XLogP10.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
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-(3-phenanthren-9-ylphenyl)-12-phenylindolo[2,3-i]phenanthridine
CID 129123067
14-[3-(10-naphthalen-2-ylanthracen-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 129123456
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
CID 158235124
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
10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122750
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
CID 118067290

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine?
The IUPAC name of 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine (CID 129122972) is 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine.
What is the SMILES notation for 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine?
The canonical SMILES for 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5nc(-c5cccc(-c6ccc7ccccc7n6)c5)c4c32)cc1.
What is the InChIKey of 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine?
The InChIKey is JJOOGPGYODETHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3/c1-2-14-29(15-3-1)43-37-20-9-6-17-31(37)33-23-22-32-30-16-5-8-19-36(30)42-39(38(32)40(33)43)28-13-10-12-27(25-28)35-24-21-26-11-4-7-18-34(26)41-35/h1-25H.
What are the key properties of 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine?
11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine has a molecular weight of 547.66 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine is sourced from PubChem (CID 129122972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).