3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine

C54H32N4O3 — CID 164813257

IUPAC3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1
InChIInChI=1S/C54H32N4O3/c1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-24-44-42-13-5-7-15-47(42)59-49(44)29-39)40-23-26-46-51(30-40)61-54-53(46)55-32-52(56-54)58(38-20-18-34-10-2-4-12-36(34)28-38)41-22-25-45-43-14-6-8-16-48(43)60-50(45)31-41/h1-32H
InChIKeyMADCXIGXTNNDNV-UHFFFAOYSA-N
MW784.88 g/mol
LogP15.42
Rot. Bonds6

About 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine

3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine (PubChem CID 164813257) has the molecular formula C54H32N4O3 and a molecular weight of 784.88 g/mol. Its IUPAC name is 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
PubChem CID164813257
Molecular FormulaC54H32N4O3
Molecular Weight784.88 g/mol
Exact Mass784.25
IUPAC Name3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1
InChIInChI=1S/C54H32N4O3/c1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-24-44-42-13-5-7-15-47(42)59-49(44)29-39)40-23-26-46-51(30-40)61-54-53(46)55-32-52(56-54)58(38-20-18-34-10-2-4-12-36(34)28-38)41-22-25-45-43-14-6-8-16-48(43)60-50(45)31-41/h1-32H
InChIKeyMADCXIGXTNNDNV-UHFFFAOYSA-N
XLogP15.42
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.88
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine 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

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-3,6,12-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[3,2-b]pyridine-3,7-diamine
CID 164813140
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-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(anthracen-2-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813420
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-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
5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-di(phenanthren-2-yl)-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-5,11-diamine
CID 164812994
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
N-dibenzofuran-3-yl-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)pyridin-2-amine
CID 148819210
5-N,11-N-di(anthracen-9-yl)-5-N,11-N-di(dibenzofuran-3-yl)-8-thia-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813260

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine?
The IUPAC name of 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) is 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine.
What is the SMILES notation for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine?
The canonical SMILES for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine is c1ccc2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3nc(N(c5ccc6ccccc6c5)c5ccc6c(c5)oc5ccccc56)cnc34)ccc2c1.
What is the InChIKey of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine?
The InChIKey is MADCXIGXTNNDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O3/c1-3-11-35-27-37(19-17-33(35)9-1)57(39-21-24-44-42-13-5-7-15-47(42)59-49(44)29-39)40-23-26-46-51(30-40)61-54-53(46)55-32-52(56-54)58(38-20-18-34-10-2-4-12-36(34)28-38)41-22-25-45-43-14-6-8-16-48(43)60-50(45)31-41/h1-32H.
What are the key properties of 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine?
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine has a molecular weight of 784.88 g/mol, XLogP of 15.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine is sourced from PubChem (CID 164813257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).