N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine

C41H24N2O2S — CID 168737976

IUPACN-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1cnc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc12
InChIInChI=1S/C41H24N2O2S/c1-5-14-37-28(8-1)32-11-7-12-35(41(32)45-37)43(27-20-21-31-30-10-3-6-15-39(30)46-40(31)22-27)26-18-16-25(17-19-26)34-23-33-29-9-2-4-13-36(29)44-38(33)24-42-34/h1-24H
InChIKeyLBLHBTWTTQQJQT-UHFFFAOYSA-N
MW608.72 g/mol
LogP12.39
Rot. Bonds4

About N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine

N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine (PubChem CID 168737976) has the molecular formula C41H24N2O2S and a molecular weight of 608.72 g/mol. Its IUPAC name is N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
PubChem CID168737976
Molecular FormulaC41H24N2O2S
Molecular Weight608.72 g/mol
Exact Mass608.16
IUPAC NameN-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1cnc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc12
InChIInChI=1S/C41H24N2O2S/c1-5-14-37-28(8-1)32-11-7-12-35(41(32)45-37)43(27-20-21-31-30-10-3-6-15-39(30)46-40(31)22-27)26-18-16-25(17-19-26)34-23-33-29-9-2-4-13-36(29)44-38(33)24-42-34/h1-24H
InChIKeyLBLHBTWTTQQJQT-UHFFFAOYSA-N
XLogP12.39
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine with MolForge

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Related Compounds

N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
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-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-[4-(3-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-N-dibenzothiophen-1-yldibenzothiophen-3-amine
CID 177294765
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
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
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
CID 130464753

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine?
The IUPAC name of N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine (CID 168737976) is N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine.
What is the SMILES notation for N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine?
The canonical SMILES for N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine is c1ccc2c(c1)oc1cnc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4oc4ccccc45)cc3)cc12.
What is the InChIKey of N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine?
The InChIKey is LBLHBTWTTQQJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O2S/c1-5-14-37-28(8-1)32-11-7-12-35(41(32)45-37)43(27-20-21-31-30-10-3-6-15-39(30)46-40(31)22-27)26-18-16-25(17-19-26)34-23-33-29-9-2-4-13-36(29)44-38(33)24-42-34/h1-24H.
What are the key properties of N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine?
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine has a molecular weight of 608.72 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine is sourced from PubChem (CID 168737976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).