N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine

C44H34N2O — CID 168810641

IUPACN-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
SMILESCC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C44H34N2O/c1-32(33-21-25-38(26-22-33)45(35-13-5-2-6-14-35)36-15-7-3-8-16-36)34-23-27-39(28-24-34)46(37-17-9-4-10-18-37)40-29-30-42-41-19-11-12-20-43(41)47-44(42)31-40/h2-32H,1H3
InChIKeyADUGHMVKSKBHIC-UHFFFAOYSA-N
MW606.77 g/mol
LogP12.68
Rot. Bonds8

About N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine (PubChem CID 168810641) has the molecular formula C44H34N2O and a molecular weight of 606.77 g/mol. Its IUPAC name is N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
PubChem CID168810641
Molecular FormulaC44H34N2O
Molecular Weight606.77 g/mol
Exact Mass606.27
IUPAC NameN-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
SMILESCC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C44H34N2O/c1-32(33-21-25-38(26-22-33)45(35-13-5-2-6-14-35)36-15-7-3-8-16-36)34-23-27-39(28-24-34)46(37-17-9-4-10-18-37)40-29-30-42-41-19-11-12-20-43(41)47-44(42)31-40/h2-32H,1H3
InChIKeyADUGHMVKSKBHIC-UHFFFAOYSA-N
XLogP12.68
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
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
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
CID 126629752
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
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
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine (CID 168810641) is N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine is CC(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine?
The InChIKey is ADUGHMVKSKBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2O/c1-32(33-21-25-38(26-22-33)45(35-13-5-2-6-14-35)36-15-7-3-8-16-36)34-23-27-39(28-24-34)46(37-17-9-4-10-18-37)40-29-30-42-41-19-11-12-20-43(41)47-44(42)31-40/h2-32H,1H3.
What are the key properties of N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine has a molecular weight of 606.77 g/mol, XLogP of 12.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168810641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).