8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine

C36H24N2OS — CID 129194325

IUPAC8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESc1ccc(Nc2ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C36H24N2OS/c1-3-9-24(10-4-1)37-25-15-19-33-31(21-25)32-22-27(17-20-34(32)39-33)38(26-11-5-2-6-12-26)28-16-18-30-29-13-7-8-14-35(29)40-36(30)23-28/h1-23,37H
InChIKeyUPULHHHCOZQLGW-UHFFFAOYSA-N
MW532.67 g/mol
LogP11.17
Rot. Bonds5

About 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine

8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine (PubChem CID 129194325) has the molecular formula C36H24N2OS and a molecular weight of 532.67 g/mol. Its IUPAC name is 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
PubChem CID129194325
Molecular FormulaC36H24N2OS
Molecular Weight532.67 g/mol
Exact Mass532.16
IUPAC Name8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESc1ccc(Nc2ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4c3c2)cc1
InChIInChI=1S/C36H24N2OS/c1-3-9-24(10-4-1)37-25-15-19-33-31(21-25)32-22-27(17-20-34(32)39-33)38(26-11-5-2-6-12-26)28-16-18-30-29-13-7-8-14-35(29)40-36(30)23-28/h1-23,37H
InChIKeyUPULHHHCOZQLGW-UHFFFAOYSA-N
XLogP11.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.67
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235194
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-dibenzothiophen-3-yl-N-phenyl-[1]benzothiolo[3,2-b][1]benzofuran-2-amine
CID 155135327
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551

Frequently Asked Questions

What is the IUPAC name of 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The IUPAC name of 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine (CID 129194325) is 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine.
What is the SMILES notation for 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The canonical SMILES for 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine is c1ccc(Nc2ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)sc5ccccc56)cc4c3c2)cc1.
What is the InChIKey of 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The InChIKey is UPULHHHCOZQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2OS/c1-3-9-24(10-4-1)37-25-15-19-33-31(21-25)32-22-27(17-20-34(32)39-33)38(26-11-5-2-6-12-26)28-16-18-30-29-13-7-8-14-35(29)40-36(30)23-28/h1-23,37H.
What are the key properties of 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine has a molecular weight of 532.67 g/mol, XLogP of 11.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 129194325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).