7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine

C209H136N8O3S7 — CID 167586130

IUPAC7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3cccc4oc5ccccc5c34)cc2-c2cc3ccccc3cc21.c1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5cccc6oc7cc8ccccc8cc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cccc3sc4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)c6c5sc5ccccc56)cc4c23)cc1
InChIInChI=1S/C55H38N2OS.C54H34N2S3.C52H32N2OS2.C48H32N2OS/c1-55(2)47-28-25-40(32-45(47)44-30-35-14-9-10-15-36(35)31-48(44)55)57(49-21-13-23-51-54(49)43-20-11-12-22-50(43)58-51)41-24-27-42-46-33-39(26-29-52(46)59-53(42)34-41)56(37-16-5-3-6-17-37)38-18-7-4-8-19-38;1-4-15-36(16-5-1)55(37-17-6-2-7-18-37)45-23-14-26-50-52(45)44-33-35(27-32-49(44)57-50)40-30-31-46(53-43-22-11-13-25-48(43)59-54(40)53)56(38-19-8-3-9-20-38)39-28-29-42-41-21-10-12-24-47(41)58-51(42)34-39;1-3-14-35(15-4-1)53(38-22-25-41-40-18-9-10-21-48(40)56-50(41)31-38)37-24-27-49-43(30-37)42-26-23-39(32-51(42)57-49)54(36-16-5-2-6-17-36)45-19-11-20-46-52(45)44-28-33-12-7-8-13-34(33)29-47(44)55-46;1-4-12-35(13-5-1)49(36-14-6-2-7-15-36)40-26-29-47-44(32-40)42-27-22-34(30-48(42)52-47)33-20-23-38(24-21-33)50(37-16-8-3-9-17-37)39-25-28-46-43(31-39)41-18-10-11-19-45(41)51-46/h3-34H,1-2H3;1-34H;1-32H;1-32H
InChIKeyHVDQBBQWIPPLHE-UHFFFAOYSA-N
MW3031.91 g/mol
LogP64.72
Rot. Bonds26

About 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine

7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine (PubChem CID 167586130) has the molecular formula C209H136N8O3S7 and a molecular weight of 3031.91 g/mol. Its IUPAC name is 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound Name7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine
PubChem CID167586130
Molecular FormulaC209H136N8O3S7
Molecular Weight3031.91 g/mol
Exact Mass3028.88
IUPAC Name7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3cccc4oc5ccccc5c34)cc2-c2cc3ccccc3cc21.c1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5cccc6oc7cc8ccccc8cc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cccc3sc4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)c6c5sc5ccccc56)cc4c23)cc1
InChIInChI=1S/C55H38N2OS.C54H34N2S3.C52H32N2OS2.C48H32N2OS/c1-55(2)47-28-25-40(32-45(47)44-30-35-14-9-10-15-36(35)31-48(44)55)57(49-21-13-23-51-54(49)43-20-11-12-22-50(43)58-51)41-24-27-42-46-33-39(26-29-52(46)59-53(42)34-41)56(37-16-5-3-6-17-37)38-18-7-4-8-19-38;1-4-15-36(16-5-1)55(37-17-6-2-7-18-37)45-23-14-26-50-52(45)44-33-35(27-32-49(44)57-50)40-30-31-46(53-43-22-11-13-25-48(43)59-54(40)53)56(38-19-8-3-9-20-38)39-28-29-42-41-21-10-12-24-47(41)58-51(42)34-39;1-3-14-35(15-4-1)53(38-22-25-41-40-18-9-10-21-48(40)56-50(41)31-38)37-24-27-49-43(30-37)42-26-23-39(32-51(42)57-49)54(36-16-5-2-6-17-36)45-19-11-20-46-52(45)44-28-33-12-7-8-13-34(33)29-47(44)55-46;1-4-12-35(13-5-1)49(36-14-6-2-7-15-36)40-26-29-47-44(32-40)42-27-22-34(30-48(42)52-47)33-20-23-38(24-21-33)50(37-16-8-3-9-17-37)39-25-28-46-43(31-39)41-18-10-11-19-45(41)51-46/h3-34H,1-2H3;1-34H;1-32H;1-32H
InChIKeyHVDQBBQWIPPLHE-UHFFFAOYSA-N
XLogP64.72
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003031.91
LogP ≤ 564.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine?
The IUPAC name of 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine (CID 167586130) is 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine.
What is the SMILES notation for 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine?
The canonical SMILES for 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine is CC1(C)c2ccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3cccc4oc5ccccc5c34)cc2-c2cc3ccccc3cc21.c1ccc(N(c2ccc(-c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)cc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3sc4cc(N(c5ccccc5)c5cccc6oc7cc8ccccc8cc7c56)ccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cccc3sc4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)c6c5sc5ccccc56)cc4c23)cc1.
What is the InChIKey of 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine?
The InChIKey is HVDQBBQWIPPLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2OS.C54H34N2S3.C52H32N2OS2.C48H32N2OS/c1-55(2)47-28-25-40(32-45(47)44-30-35-14-9-10-15-36(35)31-48(44)55)57(49-21-13-23-51-54(49)43-20-11-12-22-50(43)58-51)41-24-27-42-46-33-39(26-29-52(46)59-53(42)34-41)56(37-16-5-3-6-17-37)38-18-7-4-8-19-38;1-4-15-36(16-5-1)55(37-17-6-2-7-18-37)45-23-14-26-50-52(45)44-33-35(27-32-49(44)57-50)40-30-31-46(53-43-22-11-13-25-48(43)59-54(40)53)56(38-19-8-3-9-20-38)39-28-29-42-41-21-10-12-24-47(41)58-51(42)34-39;1-3-14-35(15-4-1)53(38-22-25-41-40-18-9-10-21-48(40)56-50(41)31-38)37-24-27-49-43(30-37)42-26-23-39(32-51(42)57-49)54(36-16-5-2-6-17-36)45-19-11-20-46-52(45)44-28-33-12-7-8-13-34(33)29-47(44)55-46;1-4-12-35(13-5-1)49(36-14-6-2-7-15-36)40-26-29-47-44(32-40)42-27-22-34(30-48(42)52-47)33-20-23-38(24-21-33)50(37-16-8-3-9-17-37)39-25-28-46-43(31-39)41-18-10-11-19-45(41)51-46/h3-34H,1-2H3;1-34H;1-32H;1-32H.
What are the key properties of 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine?
7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine has a molecular weight of 3031.91 g/mol, XLogP of 64.72, 26 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-1-yl-7-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-7-N-naphtho[2,3-b][1]benzofuran-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;N-dibenzothiophen-3-yl-N-phenyl-4-[9-(N-phenylanilino)dibenzothiophen-2-yl]dibenzothiophen-1-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 167586130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).