4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide

C90H64N6O6 — CID 163655683

IUPAC4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide
SMILESO=C(c1cc(C(=O)N(c2ccccc2)c2ccccc2)cc(C(=O)N(c2ccccc2)c2cccc(-c3cccc(N(C(=O)c4ccc(C(=O)N(c5ccccc5)c5ccccc5)c(C(=O)N(c5ccccc5)c5ccccc5)c4)c4ccccc4)c3)c2)c1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C90H64N6O6/c97-85(67-57-58-83(89(101)93(75-43-19-5-20-44-75)76-45-21-6-22-46-76)84(64-67)90(102)94(77-47-23-7-24-48-77)78-49-25-8-26-50-78)95(79-51-27-9-28-52-79)81-55-31-33-65(62-81)66-34-32-56-82(63-66)96(80-53-29-10-30-54-80)88(100)70-60-68(86(98)91(71-35-11-1-12-36-71)72-37-13-2-14-38-72)59-69(61-70)87(99)92(73-39-15-3-16-40-73)74-41-17-4-18-42-74/h1-64H
InChIKeyIPZYIULRDRXHNZ-UHFFFAOYSA-N
MW1325.54 g/mol
LogP21.22
Rot. Bonds19

About 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide

4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide (PubChem CID 163655683) has the molecular formula C90H64N6O6 and a molecular weight of 1325.54 g/mol. Its IUPAC name is 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide.

Molecular Properties

Compound Name4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide
PubChem CID163655683
Molecular FormulaC90H64N6O6
Molecular Weight1325.54 g/mol
Exact Mass1324.49
IUPAC Name4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide
SMILESO=C(c1cc(C(=O)N(c2ccccc2)c2ccccc2)cc(C(=O)N(c2ccccc2)c2cccc(-c3cccc(N(C(=O)c4ccc(C(=O)N(c5ccccc5)c5ccccc5)c(C(=O)N(c5ccccc5)c5ccccc5)c4)c4ccccc4)c3)c2)c1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C90H64N6O6/c97-85(67-57-58-83(89(101)93(75-43-19-5-20-44-75)76-45-21-6-22-46-76)84(64-67)90(102)94(77-47-23-7-24-48-77)78-49-25-8-26-50-78)95(79-51-27-9-28-52-79)81-55-31-33-65(62-81)66-34-32-56-82(63-66)96(80-53-29-10-30-54-80)88(100)70-60-68(86(98)91(71-35-11-1-12-36-71)72-37-13-2-14-38-72)59-69(61-70)87(99)92(73-39-15-3-16-40-73)74-41-17-4-18-42-74/h1-64H
InChIKeyIPZYIULRDRXHNZ-UHFFFAOYSA-N
XLogP21.22
TPSA121.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.54
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide?
The IUPAC name of 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide (CID 163655683) is 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide.
What is the SMILES notation for 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide?
The canonical SMILES for 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide is O=C(c1cc(C(=O)N(c2ccccc2)c2ccccc2)cc(C(=O)N(c2ccccc2)c2cccc(-c3cccc(N(C(=O)c4ccc(C(=O)N(c5ccccc5)c5ccccc5)c(C(=O)N(c5ccccc5)c5ccccc5)c4)c4ccccc4)c3)c2)c1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide?
The InChIKey is IPZYIULRDRXHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H64N6O6/c97-85(67-57-58-83(89(101)93(75-43-19-5-20-44-75)76-45-21-6-22-46-76)84(64-67)90(102)94(77-47-23-7-24-48-77)78-49-25-8-26-50-78)95(79-51-27-9-28-52-79)81-55-31-33-65(62-81)66-34-32-56-82(63-66)96(80-53-29-10-30-54-80)88(100)70-60-68(86(98)91(71-35-11-1-12-36-71)72-37-13-2-14-38-72)59-69(61-70)87(99)92(73-39-15-3-16-40-73)74-41-17-4-18-42-74/h1-64H.
What are the key properties of 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide?
4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide has a molecular weight of 1325.54 g/mol, XLogP of 21.22, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[3-(N-[3,5-bis(diphenylcarbamoyl)benzoyl]anilino)phenyl]phenyl]-1-N,1-N,2-N,2-N,4-N-pentakis-phenylbenzene-1,2,4-tricarboxamide is sourced from PubChem (CID 163655683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).