2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine

C42H24N4O5 — CID 164813293

IUPAC2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine
SMILESc1coc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2nc(N(c4ccc5c(c4)oc4ccccc45)c4ccco4)ncc23)c1
InChIInChI=1S/C42H24N4O5/c1-3-9-34-28(7-1)30-16-13-25(21-36(30)49-34)45(39-11-5-19-47-39)26-14-18-32-33-24-43-42(44-41(33)51-38(32)22-26)46(40-12-6-20-48-40)27-15-17-31-29-8-2-4-10-35(29)50-37(31)23-27/h1-24H
InChIKeyPWNGZXBJUITCDP-UHFFFAOYSA-N
MW664.68 g/mol
LogP12.30
Rot. Bonds6

About 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine

2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine (PubChem CID 164813293) has the molecular formula C42H24N4O5 and a molecular weight of 664.68 g/mol. Its IUPAC name is 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine
PubChem CID164813293
Molecular FormulaC42H24N4O5
Molecular Weight664.68 g/mol
Exact Mass664.17
IUPAC Name2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine
SMILESc1coc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2nc(N(c4ccc5c(c4)oc4ccccc45)c4ccco4)ncc23)c1
InChIInChI=1S/C42H24N4O5/c1-3-9-34-28(7-1)30-16-13-25(21-36(30)49-34)45(39-11-5-19-47-39)26-14-18-32-33-24-43-42(44-41(33)51-38(32)22-26)46(40-12-6-20-48-40)27-15-17-31-29-8-2-4-10-35(29)50-37(31)23-27/h1-24H
InChIKeyPWNGZXBJUITCDP-UHFFFAOYSA-N
XLogP12.30
TPSA97.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.68
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
CID 164813350
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(furan-2-yl)-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813353
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,4,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine;bis(5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine)
CID 165088387
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
CID 164813223
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813141
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
CID 164813257
5-N,11-N-di(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813052
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813150
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(4-phenylphenyl)-8-oxa-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
CID 164813070
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813140
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-bis(4-phenylphenyl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813341
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-dithiophen-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-5,11-diamine
CID 164813456

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine (CID 164813293) is 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine is c1coc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)oc2nc(N(c4ccc5c(c4)oc4ccccc45)c4ccco4)ncc23)c1.
What is the InChIKey of 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is PWNGZXBJUITCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O5/c1-3-9-34-28(7-1)30-16-13-25(21-36(30)49-34)45(39-11-5-19-47-39)26-14-18-32-33-24-43-42(44-41(33)51-38(32)22-26)46(40-12-6-20-48-40)27-15-17-31-29-8-2-4-10-35(29)50-37(31)23-27/h1-24H.
What are the key properties of 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine?
2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 664.68 g/mol, XLogP of 12.30, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-di(dibenzofuran-3-yl)-2-N,7-N-bis(furan-2-yl)-[1]benzofuro[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 164813293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).