3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine

C27H15BrN2S — CID 135212475

IUPAC3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine
SMILESBrc1cnc2c3ccccc3c3cc(-c4cccc5sc6ccccc6c45)ccc3n12
InChIInChI=1S/C27H15BrN2S/c28-25-15-29-27-19-7-2-1-6-18(19)21-14-16(12-13-22(21)30(25)27)17-9-5-11-24-26(17)20-8-3-4-10-23(20)31-24/h1-15H
InChIKeyGAZGXAKSDMMRJH-UHFFFAOYSA-N
MW479.40 g/mol
LogP8.44
Rot. Bonds1

About 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine

3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine (PubChem CID 135212475) has the molecular formula C27H15BrN2S and a molecular weight of 479.40 g/mol. Its IUPAC name is 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine
PubChem CID135212475
Molecular FormulaC27H15BrN2S
Molecular Weight479.40 g/mol
Exact Mass478.01
IUPAC Name3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine
SMILESBrc1cnc2c3ccccc3c3cc(-c4cccc5sc6ccccc6c45)ccc3n12
InChIInChI=1S/C27H15BrN2S/c28-25-15-29-27-19-7-2-1-6-18(19)21-14-16(12-13-22(21)30(25)27)17-9-5-11-24-26(17)20-8-3-4-10-23(20)31-24/h1-15H
InChIKeyGAZGXAKSDMMRJH-UHFFFAOYSA-N
XLogP8.44
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.40
LogP ≤ 58.44
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

1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
5-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 169060844
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138599667
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
10-dibenzothiophen-1-yl-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 164528197
7-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068572
1-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397546
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 163701262

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine (CID 135212475) is 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine is Brc1cnc2c3ccccc3c3cc(-c4cccc5sc6ccccc6c45)ccc3n12.
What is the InChIKey of 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine?
The InChIKey is GAZGXAKSDMMRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15BrN2S/c28-25-15-29-27-19-7-2-1-6-18(19)21-14-16(12-13-22(21)30(25)27)17-9-5-11-24-26(17)20-8-3-4-10-23(20)31-24/h1-15H.
What are the key properties of 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine?
3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine has a molecular weight of 479.40 g/mol, XLogP of 8.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-dibenzothiophen-1-ylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 135212475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).