7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

C190H124N8O6S2 — CID 159586854

IUPAC7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc3c2oc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5cc6c7ccccc7oc6c6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C52H34N2O2.C46H30N2O2.2C46H30N2OS/c1-5-16-36(17-6-1)50-47(30-29-44-46-33-40(26-31-49(46)56-52(44)50)53(37-18-7-2-8-19-37)38-20-9-3-10-21-38)54(39-22-11-4-12-23-39)41-27-32-48-45(34-41)43-28-25-35-15-13-14-24-42(35)51(43)55-48;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-44-40(28-34)38-26-24-35(29-45(38)49-44)48(33-18-8-3-9-19-33)42-30-41-37-21-12-13-23-43(37)50-46(41)39-22-11-10-20-36(39)42;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-44(39)49-43)48(34-17-8-3-9-18-34)36-23-27-45-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-45;1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-34H;3*1-30H
InChIKeyMJSMLAZYBYNMIH-UHFFFAOYSA-N
MW2679.27 g/mol
LogP56.92
Rot. Bonds25

About 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine

7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (PubChem CID 159586854) has the molecular formula C190H124N8O6S2 and a molecular weight of 2679.27 g/mol. Its IUPAC name is 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
PubChem CID159586854
Molecular FormulaC190H124N8O6S2
Molecular Weight2679.27 g/mol
Exact Mass2676.91
IUPAC Name7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc3c2oc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5cc6c7ccccc7oc6c6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C52H34N2O2.C46H30N2O2.2C46H30N2OS/c1-5-16-36(17-6-1)50-47(30-29-44-46-33-40(26-31-49(46)56-52(44)50)53(37-18-7-2-8-19-37)38-20-9-3-10-21-38)54(39-22-11-4-12-23-39)41-27-32-48-45(34-41)43-28-25-35-15-13-14-24-42(35)51(43)55-48;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-44-40(28-34)38-26-24-35(29-45(38)49-44)48(33-18-8-3-9-19-33)42-30-41-37-21-12-13-23-43(37)50-46(41)39-22-11-10-20-36(39)42;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-44(39)49-43)48(34-17-8-3-9-18-34)36-23-27-45-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-45;1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-34H;3*1-30H
InChIKeyMJSMLAZYBYNMIH-UHFFFAOYSA-N
XLogP56.92
TPSA104.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002679.27
LogP ≤ 556.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine (CID 159586854) is 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is c1ccc(-c2c(N(c3ccccc3)c3ccc4oc5c6ccccc6ccc5c4c3)ccc3c2oc2ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5cc6c7ccccc7oc6c6ccccc56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccccc5)c5ccc6sc7c8ccccc8ccc7c6c5)ccc4c3c2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
The InChIKey is MJSMLAZYBYNMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O2.C46H30N2O2.2C46H30N2OS/c1-5-16-36(17-6-1)50-47(30-29-44-46-33-40(26-31-49(46)56-52(44)50)53(37-18-7-2-8-19-37)38-20-9-3-10-21-38)54(39-22-11-4-12-23-39)41-27-32-48-45(34-41)43-28-25-35-15-13-14-24-42(35)51(43)55-48;1-4-14-31(15-5-1)47(32-16-6-2-7-17-32)34-25-27-44-40(28-34)38-26-24-35(29-45(38)49-44)48(33-18-8-3-9-19-33)42-30-41-37-21-12-13-23-43(37)50-46(41)39-22-11-10-20-36(39)42;1-4-13-32(14-5-1)47(33-15-6-2-7-16-33)35-22-26-43-41(28-35)39-25-21-37(30-44(39)49-43)48(34-17-8-3-9-18-34)36-23-27-45-42(29-36)40-24-20-31-12-10-11-19-38(31)46(40)50-45;1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-34H;3*1-30H.
What are the key properties of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine?
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine has a molecular weight of 2679.27 g/mol, XLogP of 56.92, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 159586854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).