(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate

C39H30N2O4 — CID 67179519

IUPAC(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccc(-c4ccccc4)cc3)cc2)cc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H30N2O4/c42-38(44-36-23-15-32(16-24-36)30-7-3-1-4-8-30)40-34-19-11-28(12-20-34)27-29-13-21-35(22-14-29)41-39(43)45-37-25-17-33(18-26-37)31-9-5-2-6-10-31/h1-26H,27H2,(H,40,42)(H,41,43)
InChIKeyJVGFXEZSDQFTBU-UHFFFAOYSA-N
MW590.68 g/mol
LogP9.83
Rot. Bonds8

About (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate

(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate (PubChem CID 67179519) has the molecular formula C39H30N2O4 and a molecular weight of 590.68 g/mol. Its IUPAC name is (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
PubChem CID67179519
Molecular FormulaC39H30N2O4
Molecular Weight590.68 g/mol
Exact Mass590.22
IUPAC Name(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccc(-c4ccccc4)cc3)cc2)cc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H30N2O4/c42-38(44-36-23-15-32(16-24-36)30-7-3-1-4-8-30)40-34-19-11-28(12-20-34)27-29-13-21-35(22-14-29)41-39(43)45-37-25-17-33(18-26-37)31-9-5-2-6-10-31/h1-26H,27H2,(H,40,42)(H,41,43)
InChIKeyJVGFXEZSDQFTBU-UHFFFAOYSA-N
XLogP9.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 59.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate with MolForge

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Related Compounds

(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
CID 10957066
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
tert-butyl N-[4-[[4-[[4-(N-[4-(N-(4-tert-butylphenyl)anilino)phenyl]anilino)phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 129018163
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 106911564
phenyl N-[(2S)-1-oxo-3-phenyl-1-(4-phenylanilino)propan-2-yl]carbamate
CID 126004333
phenyl N-(4-iodophenyl)carbamate
CID 73442286
[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
CID 59679789
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
(1-benzyl-2,3-dihydroindol-5-yl) N-(4-phenylphenyl)carbamate
CID 86659871
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
The IUPAC name of (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate (CID 67179519) is (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
The canonical SMILES for (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate is O=C(Nc1ccc(Cc2ccc(NC(=O)Oc3ccc(-c4ccccc4)cc3)cc2)cc1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
The InChIKey is JVGFXEZSDQFTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O4/c42-38(44-36-23-15-32(16-24-36)30-7-3-1-4-8-30)40-34-19-11-28(12-20-34)27-29-13-21-35(22-14-29)41-39(43)45-37-25-17-33(18-26-37)31-9-5-2-6-10-31/h1-26H,27H2,(H,40,42)(H,41,43).
What are the key properties of (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate has a molecular weight of 590.68 g/mol, XLogP of 9.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 67179519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).