tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate

C35H30N4O4 — CID 156902638

IUPACtert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)c2)c1
InChIInChI=1S/C35H30N4O4/c1-35(2,3)43-34(41)39-23-10-6-9-22(19-23)33(40)38-25-12-7-11-24(20-25)37-26-17-18-36-30(21-26)29-15-8-14-28-27-13-4-5-16-31(27)42-32(28)29/h4-21H,1-3H3,(H,36,37)(H,38,40)(H,39,41)
InChIKeyBXARPEKURMBNMH-UHFFFAOYSA-N
MW570.65 g/mol
LogP8.99
Rot. Bonds6

About tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate

tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate (PubChem CID 156902638) has the molecular formula C35H30N4O4 and a molecular weight of 570.65 g/mol. Its IUPAC name is tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
PubChem CID156902638
Molecular FormulaC35H30N4O4
Molecular Weight570.65 g/mol
Exact Mass570.23
IUPAC Nametert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)c2)c1
InChIInChI=1S/C35H30N4O4/c1-35(2,3)43-34(41)39-23-10-6-9-22(19-23)33(40)38-25-12-7-11-24(20-25)37-26-17-18-36-30(21-26)29-15-8-14-28-27-13-4-5-16-31(27)42-32(28)29/h4-21H,1-3H3,(H,36,37)(H,38,40)(H,39,41)
InChIKeyBXARPEKURMBNMH-UHFFFAOYSA-N
XLogP8.99
TPSA105.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 58.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902552
tert-butyl N-[2-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 156902609
tert-butyl N-[2-[4-[[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 156902528
N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546
tert-butyl N-[2-[4-[[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 69021120
tert-butyl N-[2-[3-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 69023371
4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 156902519
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
CID 156902536
N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide
CID 66962968
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate (CID 156902638) is tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ccnc(-c4cccc5c4oc4ccccc45)c3)c2)c1.
What is the InChIKey of tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is BXARPEKURMBNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30N4O4/c1-35(2,3)43-34(41)39-23-10-6-9-22(19-23)33(40)38-25-12-7-11-24(20-25)37-26-17-18-36-30(21-26)29-15-8-14-28-27-13-4-5-16-31(27)42-32(28)29/h4-21H,1-3H3,(H,36,37)(H,38,40)(H,39,41).
What are the key properties of tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 570.65 g/mol, XLogP of 8.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 156902638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).