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

C57H35N5O3 — CID 164813070

IUPAC5-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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)oc3nc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cnc34)cc2)cc1
InChIInChI=1S/C57H35N5O3/c1-3-11-36(12-4-1)38-19-23-40(24-20-38)61(42-27-29-46-44-15-7-9-17-49(44)63-51(46)33-42)53-32-31-48-55-57(65-56(48)59-53)60-54(35-58-55)62(41-25-21-39(22-26-41)37-13-5-2-6-14-37)43-28-30-47-45-16-8-10-18-50(45)64-52(47)34-43/h1-35H
InChIKeyRDCNQQFBWWWHNG-UHFFFAOYSA-N
MW837.94 g/mol
LogP15.84
Rot. Bonds8

About 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

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 (PubChem CID 164813070) has the molecular formula C57H35N5O3 and a molecular weight of 837.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID164813070
Molecular FormulaC57H35N5O3
Molecular Weight837.94 g/mol
Exact Mass837.27
IUPAC Name5-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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)oc3nc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cnc34)cc2)cc1
InChIInChI=1S/C57H35N5O3/c1-3-11-36(12-4-1)38-19-23-40(24-20-38)61(42-27-29-46-44-15-7-9-17-49(44)63-51(46)33-42)53-32-31-48-55-57(65-56(48)59-53)60-54(35-58-55)62(41-25-21-39(22-26-41)37-13-5-2-6-14-37)43-28-30-47-45-16-8-10-18-50(45)64-52(47)34-43/h1-35H
InChIKeyRDCNQQFBWWWHNG-UHFFFAOYSA-N
XLogP15.84
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.94
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazine-3,7-diamine
CID 164813167
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(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
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-bis(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813283
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
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
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-dibenzofuran-3-yl-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)pyridin-2-amine
CID 148819210
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(n3)oc3nc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)oc5ccccc56)cnc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RDCNQQFBWWWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O3/c1-3-11-36(12-4-1)38-19-23-40(24-20-38)61(42-27-29-46-44-15-7-9-17-49(44)63-51(46)33-42)53-32-31-48-55-57(65-56(48)59-53)60-54(35-58-55)62(41-25-21-39(22-26-41)37-13-5-2-6-14-37)43-28-30-47-45-16-8-10-18-50(45)64-52(47)34-43/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 837.94 g/mol, XLogP of 15.84, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164813070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).