1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine

C60H39N3O3 — CID 134198303

IUPAC1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H39N3O3/c1-3-15-40(16-4-1)61(46-30-33-58-53(37-46)50-24-8-11-27-56(50)64-58)42-19-13-21-44(35-42)63(48-29-32-52-49-23-7-10-26-55(49)66-60(52)39-48)45-22-14-20-43(36-45)62(41-17-5-2-6-18-41)47-31-34-59-54(38-47)51-25-9-12-28-57(51)65-59/h1-39H
InChIKeyWQZBWGULLMLFLP-UHFFFAOYSA-N
MW849.99 g/mol
LogP17.79
Rot. Bonds9

About 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine

1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine (PubChem CID 134198303) has the molecular formula C60H39N3O3 and a molecular weight of 849.99 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
PubChem CID134198303
Molecular FormulaC60H39N3O3
Molecular Weight849.99 g/mol
Exact Mass849.30
IUPAC Name1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
SMILESc1ccc(N(c2cccc(N(c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H39N3O3/c1-3-15-40(16-4-1)61(46-30-33-58-53(37-46)50-24-8-11-27-56(50)64-58)42-19-13-21-44(35-42)63(48-29-32-52-49-23-7-10-26-55(49)66-60(52)39-48)45-22-14-20-43(36-45)62(41-17-5-2-6-18-41)47-31-34-59-54(38-47)51-25-9-12-28-57(51)65-59/h1-39H
InChIKeyWQZBWGULLMLFLP-UHFFFAOYSA-N
XLogP17.79
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.99
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine with MolForge

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Related Compounds

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine?
The IUPAC name of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine (CID 134198303) is 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine is c1ccc(N(c2cccc(N(c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine?
The InChIKey is WQZBWGULLMLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O3/c1-3-15-40(16-4-1)61(46-30-33-58-53(37-46)50-24-8-11-27-56(50)64-58)42-19-13-21-44(35-42)63(48-29-32-52-49-23-7-10-26-55(49)66-60(52)39-48)45-22-14-20-43(36-45)62(41-17-5-2-6-18-41)47-31-34-59-54(38-47)51-25-9-12-28-57(51)65-59/h1-39H.
What are the key properties of 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine?
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine has a molecular weight of 849.99 g/mol, XLogP of 17.79, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 134198303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).