4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine

C72H48N4O2S — CID 145264520

IUPAC4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cccc6c5oc5c(N(c7ccccc7)c7ccc8sc9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9c8c7)cccc56)cc4c3c2)cc1
InChIInChI=1S/C72H48N4O2S/c1-7-21-49(22-8-1)73(50-23-9-2-10-24-50)55-37-41-67-61(45-55)62-46-57(38-42-68(62)77-67)75(53-29-15-5-16-30-53)65-35-19-33-59-60-34-20-36-66(72(60)78-71(59)65)76(54-31-17-6-18-32-54)58-40-44-70-64(48-58)63-47-56(39-43-69(63)79-70)74(51-25-11-3-12-26-51)52-27-13-4-14-28-52/h1-48H
InChIKeyJGOFWOGBSMGCCW-UHFFFAOYSA-N
MW1033.27 g/mol
LogP21.73
Rot. Bonds12

About 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine

4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine (PubChem CID 145264520) has the molecular formula C72H48N4O2S and a molecular weight of 1033.27 g/mol. Its IUPAC name is 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine
PubChem CID145264520
Molecular FormulaC72H48N4O2S
Molecular Weight1033.27 g/mol
Exact Mass1032.35
IUPAC Name4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cccc6c5oc5c(N(c7ccccc7)c7ccc8sc9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9c8c7)cccc56)cc4c3c2)cc1
InChIInChI=1S/C72H48N4O2S/c1-7-21-49(22-8-1)73(50-23-9-2-10-24-50)55-37-41-67-61(45-55)62-46-57(38-42-68(62)77-67)75(53-29-15-5-16-30-53)65-35-19-33-59-60-34-20-36-66(72(60)78-71(59)65)76(54-31-17-6-18-32-54)58-40-44-70-64(48-58)63-47-56(39-43-69(63)79-70)74(51-25-11-3-12-26-51)52-27-13-4-14-28-52/h1-48H
InChIKeyJGOFWOGBSMGCCW-UHFFFAOYSA-N
XLogP21.73
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.27
LogP ≤ 521.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine with MolForge

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Related Compounds

6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
5-N,19-N-di(dibenzofuran-2-yl)-5-N,19-N-di(dibenzofuran-4-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494248
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane
CID 157493417
3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-4-amine
CID 146494934
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-amine
CID 167396373
N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 161152265

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine?
The IUPAC name of 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine (CID 145264520) is 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine?
The canonical SMILES for 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine is c1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cccc6c5oc5c(N(c7ccccc7)c7ccc8sc9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9c8c7)cccc56)cc4c3c2)cc1.
What is the InChIKey of 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine?
The InChIKey is JGOFWOGBSMGCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4O2S/c1-7-21-49(22-8-1)73(50-23-9-2-10-24-50)55-37-41-67-61(45-55)62-46-57(38-42-68(62)77-67)75(53-29-15-5-16-30-53)65-35-19-33-59-60-34-20-36-66(72(60)78-71(59)65)76(54-31-17-6-18-32-54)58-40-44-70-64(48-58)63-47-56(39-43-69(63)79-70)74(51-25-11-3-12-26-51)52-27-13-4-14-28-52/h1-48H.
What are the key properties of 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine?
4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine has a molecular weight of 1033.27 g/mol, XLogP of 21.73, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine is sourced from PubChem (CID 145264520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).