10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one

C26H19NOS — CID 154979971

IUPAC10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one
SMILESC=Cc1c(/C=C\C)sc2cc3c(=O)n(-c4ccccc4)c4ccccc4c3cc12
InChIInChI=1S/C26H19NOS/c1-3-10-24-18(4-2)21-15-20-19-13-8-9-14-23(19)27(17-11-6-5-7-12-17)26(28)22(20)16-25(21)29-24/h3-16H,2H2,1H3/b10-3-
InChIKeyJRDAOPAHVHXJHP-KMKOMSMNSA-N
MW393.51 g/mol
LogP7.03
Rot. Bonds3

About 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one

10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one (PubChem CID 154979971) has the molecular formula C26H19NOS and a molecular weight of 393.51 g/mol. Its IUPAC name is 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one.

Molecular Properties

Compound Name10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one
PubChem CID154979971
Molecular FormulaC26H19NOS
Molecular Weight393.51 g/mol
Exact Mass393.12
IUPAC Name10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one
SMILESC=Cc1c(/C=C\C)sc2cc3c(=O)n(-c4ccccc4)c4ccccc4c3cc12
InChIInChI=1S/C26H19NOS/c1-3-10-24-18(4-2)21-15-20-19-13-8-9-14-23(19)27(17-11-6-5-7-12-17)26(28)22(20)16-25(21)29-24/h3-16H,2H2,1H3/b10-3-
InChIKeyJRDAOPAHVHXJHP-KMKOMSMNSA-N
XLogP7.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 57.03
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

6-ethenyl-23-phenyl-5-[(Z)-prop-1-enyl]-4-thia-11,18,23-triazaoctacyclo[18.11.0.02,10.03,7.011,19.012,17.022,30.024,29]hentriaconta-1(20),2(10),3(7),5,8,12,14,16,18,21,24,26,28,30-tetradecaene
CID 154992100
5-ethenyl-20-phenyl-4-[(Z)-prop-1-enyl]-3-thia-8,11,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7,9,11,14,16,18-nonaene
CID 146651451
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
11,15-diphenyl-20-(3-phenylphenyl)-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933422
5-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1-benzothiophen-6-yl]-7-phenylindolo[2,3-b]carbazole
CID 126674962
2-(4-carbazol-9-ylphenyl)-6-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]thioxanthen-9-one;ethane;prop-1-ene
CID 145444880
(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine
CID 145327097
1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole
CID 170226579
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 144788021
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one?
The IUPAC name of 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one (CID 154979971) is 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one.
What is the SMILES notation for 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one?
The canonical SMILES for 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one is C=Cc1c(/C=C\C)sc2cc3c(=O)n(-c4ccccc4)c4ccccc4c3cc12.
What is the InChIKey of 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one?
The InChIKey is JRDAOPAHVHXJHP-KMKOMSMNSA-N. The full InChI is InChI=1S/C26H19NOS/c1-3-10-24-18(4-2)21-15-20-19-13-8-9-14-23(19)27(17-11-6-5-7-12-17)26(28)22(20)16-25(21)29-24/h3-16H,2H2,1H3/b10-3-.
What are the key properties of 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one?
10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one has a molecular weight of 393.51 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one is sourced from PubChem (CID 154979971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).