3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine

C39H24N2O — CID 170530705

IUPAC3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4n3c2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C39H24N2O/c1-2-11-26(12-3-1)36-37(41-34-19-8-6-14-30(34)29-13-4-5-16-33(29)39(41)40-36)27-23-21-25(22-24-27)28-17-10-18-32-31-15-7-9-20-35(31)42-38(28)32/h1-24H
InChIKeyHQFOGPQWNLHWJE-UHFFFAOYSA-N
MW536.63 g/mol
LogP10.54
Rot. Bonds3

About 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine

3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine (PubChem CID 170530705) has the molecular formula C39H24N2O and a molecular weight of 536.63 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
PubChem CID170530705
Molecular FormulaC39H24N2O
Molecular Weight536.63 g/mol
Exact Mass536.19
IUPAC Name3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4n3c2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C39H24N2O/c1-2-11-26(12-3-1)36-37(41-34-19-8-6-14-30(34)29-13-4-5-16-33(29)39(41)40-36)27-23-21-25(22-24-27)28-17-10-18-32-31-15-7-9-20-35(31)42-38(28)32/h1-24H
InChIKeyHQFOGPQWNLHWJE-UHFFFAOYSA-N
XLogP10.54
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 510.54
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

3-(4-dibenzofuran-4-ylphenyl)-11-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068443
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
16-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-20-[3-[4-[4-[2-[20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinazolin-4-yl]naphthalen-1-yl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-16-yl]quinazolin-4-yl]phenyl]phenyl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
CID 135212454
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
2-dibenzofuran-4-yl-4-phenyl-6-(6-triphenylen-2-yldibenzofuran-4-yl)-1,3,5-triazine
CID 166953249
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 160606052
11-(10,15,26-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaen-12-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 138651043
10-(4-dibenzofuran-4-ylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
CID 159318599
2-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 163662232
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58038117
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine (CID 170530705) is 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine is c1ccc(-c2nc3c4ccccc4c4ccccc4n3c2-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine?
The InChIKey is HQFOGPQWNLHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O/c1-2-11-26(12-3-1)36-37(41-34-19-8-6-14-30(34)29-13-4-5-16-33(29)39(41)40-36)27-23-21-25(22-24-27)28-17-10-18-32-31-15-7-9-20-35(31)42-38(28)32/h1-24H.
What are the key properties of 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine?
3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine has a molecular weight of 536.63 g/mol, XLogP of 10.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 170530705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).