1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide

C37H26NO2P — CID 134444480

IUPAC1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide
SMILESC=Cc1c(/C=C\C)n(-c2cccc3c2oc2ccccc23)c2c3c(ccc12)-c1ccccc1P3(=O)c1ccccc1
InChIInChI=1S/C37H26NO2P/c1-3-13-31-25(4-2)28-22-23-30-27-17-9-11-21-34(27)41(39,24-14-6-5-7-15-24)37(30)35(28)38(31)32-19-12-18-29-26-16-8-10-20-33(26)40-36(29)32/h3-23H,2H2,1H3/b13-3-
InChIKeyIPSHEPNHKFVDTH-DXNYSGJVSA-N
MW547.59 g/mol
LogP8.83
Rot. Bonds4

About 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide

1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide (PubChem CID 134444480) has the molecular formula C37H26NO2P and a molecular weight of 547.59 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide
PubChem CID134444480
Molecular FormulaC37H26NO2P
Molecular Weight547.59 g/mol
Exact Mass547.17
IUPAC Name1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide
SMILESC=Cc1c(/C=C\C)n(-c2cccc3c2oc2ccccc23)c2c3c(ccc12)-c1ccccc1P3(=O)c1ccccc1
InChIInChI=1S/C37H26NO2P/c1-3-13-31-25(4-2)28-22-23-30-27-17-9-11-21-34(27)41(39,24-14-6-5-7-15-24)37(30)35(28)38(31)32-19-12-18-29-26-16-8-10-20-33(26)40-36(29)32/h3-23H,2H2,1H3/b13-3-
InChIKeyIPSHEPNHKFVDTH-DXNYSGJVSA-N
XLogP8.83
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.59
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
2'-dibenzofuran-4-yl-5'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-acridophosphine] 5'-oxide
CID 135140085
ethane;(4Z,5E)-3-ethenyl-4-ethylidene-1-phenyl-2-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole;N-methyl-N-phenyldibenzofuran-4-amine
CID 142288956
14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one
CID 142322053
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437
4-(1-ethenyl-11-methylidene-5,10-diphenylbenzo[b]fluoren-2-yl)dibenzofuran
CID 70658695
3-naphthalen-1-yl-24-phenyl-3-aza-24λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 24-oxide
CID 121310531
12-[4-(1-ethenyl-9-methylidenefluoren-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-a]carbazole
CID 144740954
18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 145373964
11-(1,10-phenanthrolin-3-yl)-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310442
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
18-phenyl-18λ5-phosphahexacyclo[17.8.0.02,11.03,8.012,17.020,25]heptacosa-1(19),2(11),3,5,7,9,12,14,16,20,22,24,26-tridecaene 18-oxide
CID 139401149

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide?
The IUPAC name of 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide (CID 134444480) is 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide.
What is the SMILES notation for 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide?
The canonical SMILES for 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide is C=Cc1c(/C=C\C)n(-c2cccc3c2oc2ccccc23)c2c3c(ccc12)-c1ccccc1P3(=O)c1ccccc1.
What is the InChIKey of 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide?
The InChIKey is IPSHEPNHKFVDTH-DXNYSGJVSA-N. The full InChI is InChI=1S/C37H26NO2P/c1-3-13-31-25(4-2)28-22-23-30-27-17-9-11-21-34(27)41(39,24-14-6-5-7-15-24)37(30)35(28)38(31)32-19-12-18-29-26-16-8-10-20-33(26)40-36(29)32/h3-23H,2H2,1H3/b13-3-.
What are the key properties of 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide?
1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide has a molecular weight of 547.59 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-3-ethenyl-10-phenyl-2-[(Z)-prop-1-enyl]phosphindolo[3,2-g]indole 10-oxide is sourced from PubChem (CID 134444480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).