2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine

C58H36N2O2S — CID 155172858

IUPAC2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2c(-c4cccc5ccccc45)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C58H36N2O2S/c1-3-16-38(17-4-1)59(40-28-31-57-50(32-40)49-22-10-12-25-56(49)63-57)41-27-30-48-52-34-43(33-51(58(52)62-55(48)36-41)45-23-13-15-37-14-7-8-20-44(37)45)60(39-18-5-2-6-19-39)42-26-29-47-46-21-9-11-24-53(46)61-54(47)35-42/h1-36H
InChIKeyMUZHJRJPVGRTGU-UHFFFAOYSA-N
MW825.01 g/mol
LogP17.61
Rot. Bonds7

About 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine

2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine (PubChem CID 155172858) has the molecular formula C58H36N2O2S and a molecular weight of 825.01 g/mol. Its IUPAC name is 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
PubChem CID155172858
Molecular FormulaC58H36N2O2S
Molecular Weight825.01 g/mol
Exact Mass824.25
IUPAC Name2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2c(-c4cccc5ccccc45)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C58H36N2O2S/c1-3-16-38(17-4-1)59(40-28-31-57-50(32-40)49-22-10-12-25-56(49)63-57)41-27-30-48-52-34-43(33-51(58(52)62-55(48)36-41)45-23-13-15-37-14-7-8-20-44(37)45)60(39-18-5-2-6-19-39)42-26-29-47-46-21-9-11-24-53(46)61-54(47)35-42/h1-36H
InChIKeyMUZHJRJPVGRTGU-UHFFFAOYSA-N
XLogP17.61
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.01
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine with MolForge

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Related Compounds

7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
N-chrysen-3-yl-N-dibenzothiophen-2-yldibenzofuran-3-amine
CID 170137144
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
6-N,18-N-di(dibenzofuran-3-yl)-6-N,18-N-diphenyl-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-6,18-diamine
CID 149289463
6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
CID 174244148
N-(4-naphthalen-1-ylphenyl)-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164989809
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479
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
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 168846117

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
The IUPAC name of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine (CID 155172858) is 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine is c1ccc(N(c2ccc3c(c2)oc2c(-c4cccc5ccccc45)cc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
The InChIKey is MUZHJRJPVGRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2S/c1-3-16-38(17-4-1)59(40-28-31-57-50(32-40)49-22-10-12-25-56(49)63-57)41-27-30-48-52-34-43(33-51(58(52)62-55(48)36-41)45-23-13-15-37-14-7-8-20-44(37)45)60(39-18-5-2-6-19-39)42-26-29-47-46-21-9-11-24-53(46)61-54(47)35-42/h1-36H.
What are the key properties of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine?
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine has a molecular weight of 825.01 g/mol, XLogP of 17.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-4-naphthalen-1-yl-2-N,7-N-diphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 155172858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).