2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine

C26H18N2S — CID 59358620

IUPAC2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine
SMILESCc1ccc(-c2cn3c4ccc(-c5ccccc5)cc4c4ccccc4c3n2)s1
InChIInChI=1S/C26H18N2S/c1-17-11-14-25(29-17)23-16-28-24-13-12-19(18-7-3-2-4-8-18)15-22(24)20-9-5-6-10-21(20)26(28)27-23/h2-16H,1H3
InChIKeyRJICRIJFKRUAQG-UHFFFAOYSA-N
MW390.51 g/mol
LogP7.34
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine

2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine (PubChem CID 59358620) has the molecular formula C26H18N2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine
PubChem CID59358620
Molecular FormulaC26H18N2S
Molecular Weight390.51 g/mol
Exact Mass390.12
IUPAC Name2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine
SMILESCc1ccc(-c2cn3c4ccc(-c5ccccc5)cc4c4ccccc4c3n2)s1
InChIInChI=1S/C26H18N2S/c1-17-11-14-25(29-17)23-16-28-24-13-12-19(18-7-3-2-4-8-18)15-22(24)20-9-5-6-10-21(20)26(28)27-23/h2-16H,1H3
InChIKeyRJICRIJFKRUAQG-UHFFFAOYSA-N
XLogP7.34
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 57.34
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

2-phenylimidazo[1,2-f]phenanthridin-11-ol
CID 163435365
5-(5-methylthiophen-2-yl)-17-phenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 144608299
9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole
CID 58960696
2-(2,6-diphenyl-4-pyridinyl)-6-phenylcarbazol-9-amine
CID 142508157
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
4,7,7-trimethyl-10,15-diphenyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaene
CID 123884726
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)imidazo[1,2-c]quinazoline
CID 167285790
5,10-diphenyl-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 162740169
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
5-(3,5-diphenylphenyl)-10-(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 139524665
3-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]-9-methylcarbazole
CID 67510404
5,15-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 168720024

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine (CID 59358620) is 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine is Cc1ccc(-c2cn3c4ccc(-c5ccccc5)cc4c4ccccc4c3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine?
The InChIKey is RJICRIJFKRUAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2S/c1-17-11-14-25(29-17)23-16-28-24-13-12-19(18-7-3-2-4-8-18)15-22(24)20-9-5-6-10-21(20)26(28)27-23/h2-16H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine?
2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine has a molecular weight of 390.51 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-7-phenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 59358620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).