5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine

C46H28N4O2S — CID 164813054

IUPAC5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)ccc4c3cn2)cc1
InChIInChI=1S/C46H28N4O2S/c1-3-11-29(12-4-1)49(31-19-21-35-33-15-7-9-17-39(33)51-41(35)25-31)44-24-23-37-38-28-47-45(27-43(38)53-46(37)48-44)50(30-13-5-2-6-14-30)32-20-22-36-34-16-8-10-18-40(34)52-42(36)26-32/h1-28H
InChIKeyOEKQSQXDWGKWJS-UHFFFAOYSA-N
MW700.82 g/mol
LogP13.58
Rot. Bonds6

About 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[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-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine (PubChem CID 164813054) has the molecular formula C46H28N4O2S and a molecular weight of 700.82 g/mol. Its IUPAC name is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[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-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
PubChem CID164813054
Molecular FormulaC46H28N4O2S
Molecular Weight700.82 g/mol
Exact Mass700.19
IUPAC Name5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)ccc4c3cn2)cc1
InChIInChI=1S/C46H28N4O2S/c1-3-11-29(12-4-1)49(31-19-21-35-33-15-7-9-17-39(33)51-41(35)25-31)44-24-23-37-38-28-47-45(27-43(38)53-46(37)48-44)50(30-13-5-2-6-14-30)32-20-22-36-34-16-8-10-18-40(34)52-42(36)26-32/h1-28H
InChIKeyOEKQSQXDWGKWJS-UHFFFAOYSA-N
XLogP13.58
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.82
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-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(dibenzofuran-3-yl)-5-N,11-N-dinaphthalen-2-yl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine
CID 164813314
2-N,7-N-di(anthracen-2-yl)-2-N,7-N-di(dibenzofuran-3-yl)-[1]benzothiolo[2,3-b]pyridine-2,7-diamine
CID 164813406
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(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
6-N,18-N-di(dibenzofuran-3-yl)-6-N,18-N-diphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-6,18-diamine
CID 149289463
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-2-yl)-5-N,11-N-diphenyl-8-thia-3,4,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene-5,11-diamine
CID 164813050
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenyl-[1]benzofuro[3,2-c]pyridin-3-amine
CID 163828900
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-2-amine
CID 163507205
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
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

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[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-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine (CID 164813054) is 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[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-diphenyl-8-thia-4,10-diazatricyclo[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-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cc3sc4nc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)ccc4c3cn2)cc1.
What is the InChIKey of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine?
The InChIKey is OEKQSQXDWGKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2S/c1-3-11-29(12-4-1)49(31-19-21-35-33-15-7-9-17-39(33)51-41(35)25-31)44-24-23-37-38-28-47-45(27-43(38)53-46(37)48-44)50(30-13-5-2-6-14-30)32-20-22-36-34-16-8-10-18-40(34)52-42(36)26-32/h1-28H.
What are the key properties of 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[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-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine has a molecular weight of 700.82 g/mol, XLogP of 13.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,11-N-di(dibenzofuran-3-yl)-5-N,11-N-diphenyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-5,11-diamine is sourced from PubChem (CID 164813054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).