6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

C60H34N2O4P2 — CID 154599591

IUPAC6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
SMILESO=P1(c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c2cccc3c2-c2c1cccc2P3(=O)c1cccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1
InChIInChI=1S/C60H34N2O4P2/c63-67(37-15-9-13-35(29-37)61-47-21-5-1-17-39(47)43-31-45-41-19-3-7-23-51(41)65-53(45)33-49(43)61)55-25-11-27-57-59(55)60-56(67)26-12-28-58(60)68(57,64)38-16-10-14-36(30-38)62-48-22-6-2-18-40(48)44-32-46-42-20-4-8-24-52(42)66-54(46)34-50(44)62/h1-34H
InChIKeyPSQZTHQMYLCBTK-UHFFFAOYSA-N
MW908.89 g/mol
LogP13.25
Rot. Bonds4

About 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide

6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (PubChem CID 154599591) has the molecular formula C60H34N2O4P2 and a molecular weight of 908.89 g/mol. Its IUPAC name is 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide.

Molecular Properties

Compound Name6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
PubChem CID154599591
Molecular FormulaC60H34N2O4P2
Molecular Weight908.89 g/mol
Exact Mass908.20
IUPAC Name6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
SMILESO=P1(c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c2cccc3c2-c2c1cccc2P3(=O)c1cccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1
InChIInChI=1S/C60H34N2O4P2/c63-67(37-15-9-13-35(29-37)61-47-21-5-1-17-39(47)43-31-45-41-19-3-7-23-51(41)65-53(45)33-49(43)61)55-25-11-27-57-59(55)60-56(67)26-12-28-58(60)68(57,64)38-16-10-14-36(30-38)62-48-22-6-2-18-40(48)44-32-46-42-20-4-8-24-52(42)66-54(46)34-50(44)62/h1-34H
InChIKeyPSQZTHQMYLCBTK-UHFFFAOYSA-N
XLogP13.25
TPSA70.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.89
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599609
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
11-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390301
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092

Frequently Asked Questions

What is the IUPAC name of 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
The IUPAC name of 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide (CID 154599591) is 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide.
What is the SMILES notation for 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
The canonical SMILES for 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide is O=P1(c2cccc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c2)c2cccc3c2-c2c1cccc2P3(=O)c1cccc(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c1.
What is the InChIKey of 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
The InChIKey is PSQZTHQMYLCBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O4P2/c63-67(37-15-9-13-35(29-37)61-47-21-5-1-17-39(47)43-31-45-41-19-3-7-23-51(41)65-53(45)33-49(43)61)55-25-11-27-57-59(55)60-56(67)26-12-28-58(60)68(57,64)38-16-10-14-36(30-38)62-48-22-6-2-18-40(48)44-32-46-42-20-4-8-24-52(42)66-54(46)34-50(44)62/h1-34H.
What are the key properties of 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide?
6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide has a molecular weight of 908.89 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide is sourced from PubChem (CID 154599591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).