N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine

C30H19NO3 — CID 126629752

IUPACN-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2O3)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C30H19NO3/c1-2-8-20(9-3-1)31(21-14-16-24-23-10-4-5-11-25(23)32-29(24)18-21)22-15-17-28-30(19-22)34-27-13-7-6-12-26(27)33-28/h1-19H
InChIKeyNTPNDFRVLODSLP-UHFFFAOYSA-N
MW441.49 g/mol
LogP8.95
Rot. Bonds3

About N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine

N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine (PubChem CID 126629752) has the molecular formula C30H19NO3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
PubChem CID126629752
Molecular FormulaC30H19NO3
Molecular Weight441.49 g/mol
Exact Mass441.14
IUPAC NameN-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2O3)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C30H19NO3/c1-2-8-20(9-3-1)31(21-14-16-24-23-10-4-5-11-25(23)32-29(24)18-21)22-15-17-28-30(19-22)34-27-13-7-6-12-26(27)33-28/h1-19H
InChIKeyNTPNDFRVLODSLP-UHFFFAOYSA-N
XLogP8.95
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yldibenzo-p-dioxin-2-amine
CID 126629766
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-3-amine
CID 121311287
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
N-phenyl-N-(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 138651086
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine (CID 126629752) is N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine is c1ccc(N(c2ccc3c(c2)Oc2ccccc2O3)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine?
The InChIKey is NTPNDFRVLODSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NO3/c1-2-8-20(9-3-1)31(21-14-16-24-23-10-4-5-11-25(23)32-29(24)18-21)22-15-17-28-30(19-22)34-27-13-7-6-12-26(27)33-28/h1-19H.
What are the key properties of N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine?
N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine has a molecular weight of 441.49 g/mol, XLogP of 8.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-phenyldibenzo-p-dioxin-2-amine is sourced from PubChem (CID 126629752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).