N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide

C50H38N4O2 — CID 122397801

IUPACN-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H38N4O2/c55-49(51-41-29-33-47(34-30-41)53(43-13-5-1-6-14-43)44-15-7-2-8-16-44)39-25-21-37(22-26-39)38-23-27-40(28-24-38)50(56)52-42-31-35-48(36-32-42)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-36H,(H,51,55)(H,52,56)
InChIKeyIFWJKVRZCYYENZ-UHFFFAOYSA-N
MW726.88 g/mol
LogP12.80
Rot. Bonds11

About N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide

N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 122397801) has the molecular formula C50H38N4O2 and a molecular weight of 726.88 g/mol. Its IUPAC name is N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
PubChem CID122397801
Molecular FormulaC50H38N4O2
Molecular Weight726.88 g/mol
Exact Mass726.30
IUPAC NameN-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C50H38N4O2/c55-49(51-41-29-33-47(34-30-41)53(43-13-5-1-6-14-43)44-15-7-2-8-16-44)39-25-21-37(22-26-39)38-23-27-40(28-24-38)50(56)52-42-31-35-48(36-32-42)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-36H,(H,51,55)(H,52,56)
InChIKeyIFWJKVRZCYYENZ-UHFFFAOYSA-N
XLogP12.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 512.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
3,5-diamino-N-[4-(N-phenylanilino)phenyl]benzamide
CID 102457154
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-diphenylphosphoryl-N-[4-[(4-diphenylphosphorylbenzoyl)amino]phenyl]benzamide
CID 177476151
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide (CID 122397801) is N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide is O=C(Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2ccc(C(=O)Nc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is IFWJKVRZCYYENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4O2/c55-49(51-41-29-33-47(34-30-41)53(43-13-5-1-6-14-43)44-15-7-2-8-16-44)39-25-21-37(22-26-39)38-23-27-40(28-24-38)50(56)52-42-31-35-48(36-32-42)54(45-17-9-3-10-18-45)46-19-11-4-12-20-46/h1-36H,(H,51,55)(H,52,56).
What are the key properties of N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide?
N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 726.88 g/mol, XLogP of 12.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-phenylanilino)phenyl]-4-[4-[[4-(N-phenylanilino)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 122397801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).