1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole

C31H23NO — CID 123383363

IUPAC1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
SMILESC=Cc1c(C=CC)n(-c2cccc(-c3ccccc3)c2)c2ccc3c4ccccc4oc3c12
InChIInChI=1S/C31H23NO/c1-3-11-27-24(4-2)30-28(19-18-26-25-16-8-9-17-29(25)33-31(26)30)32(27)23-15-10-14-22(20-23)21-12-6-5-7-13-21/h3-20H,2H2,1H3
InChIKeyRAWIJJWPCMISAE-UHFFFAOYSA-N
MW425.53 g/mol
LogP8.87
Rot. Bonds4

About 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole

1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole (PubChem CID 123383363) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole.

Molecular Properties

Compound Name1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
PubChem CID123383363
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
SMILESC=Cc1c(C=CC)n(-c2cccc(-c3ccccc3)c2)c2ccc3c4ccccc4oc3c12
InChIInChI=1S/C31H23NO/c1-3-11-27-24(4-2)30-28(19-18-26-25-16-8-9-17-29(25)33-31(26)30)32(27)23-15-10-14-22(20-23)21-12-6-5-7-13-21/h3-20H,2H2,1H3
InChIKeyRAWIJJWPCMISAE-UHFFFAOYSA-N
XLogP8.87
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-dibenzofuran-4-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;prop-1-ene
CID 144604324
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
N-[4-[4-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-yl]phenyl]phenyl]-N,4-diphenylaniline
CID 170106811
17-phenyl-34-(4-phenylphenyl)-6,23-dioxa-17,34-diazanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1,3(18),4(16),5(13),7,9,11,14,19,21(33),22(30),24,26,28,31-pentadecaene
CID 149105992
9-dibenzofuran-4-yl-3-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylcarbazol-9-yl)carbazole;3-phenyl-9-(3-triphenylen-2-ylphenyl)carbazole;pentakis(prop-1-ene);9-(3-triphenylen-2-ylphenyl)carbazole
CID 159796899
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
3-ethenyl-8-[10-(3-phenylphenyl)anthracen-9-yl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 170224009
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole?
The IUPAC name of 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole (CID 123383363) is 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole.
What is the SMILES notation for 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole?
The canonical SMILES for 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole is C=Cc1c(C=CC)n(-c2cccc(-c3ccccc3)c2)c2ccc3c4ccccc4oc3c12.
What is the InChIKey of 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole?
The InChIKey is RAWIJJWPCMISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-3-11-27-24(4-2)30-28(19-18-26-25-16-8-9-17-29(25)33-31(26)30)32(27)23-15-10-14-22(20-23)21-12-6-5-7-13-21/h3-20H,2H2,1H3.
What are the key properties of 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole?
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole has a molecular weight of 425.53 g/mol, XLogP of 8.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole is sourced from PubChem (CID 123383363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).