4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline

C66H48N2 — CID 58850719

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-5-13-49(14-6-1)55-25-37-61(38-26-55)67(62-39-27-56(28-40-62)50-15-7-2-8-16-50)65-45-33-59(34-46-65)53-21-23-54(24-22-53)60-35-47-66(48-36-60)68(63-41-29-57(30-42-63)51-17-9-3-10-18-51)64-43-31-58(32-44-64)52-19-11-4-12-20-52/h1-48H
InChIKeyFRJIRSGTDSDPTM-UHFFFAOYSA-N
MW869.12 g/mol
LogP18.63
Rot. Bonds12

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline (PubChem CID 58850719) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
PubChem CID58850719
Molecular FormulaC66H48N2
Molecular Weight869.12 g/mol
Exact Mass868.38
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H48N2/c1-5-13-49(14-6-1)55-25-37-61(38-26-55)67(62-39-27-56(28-40-62)50-15-7-2-8-16-50)65-45-33-59(34-46-65)53-21-23-54(24-22-53)60-35-47-66(48-36-60)68(63-41-29-57(30-42-63)51-17-9-3-10-18-51)64-43-31-58(32-44-64)52-19-11-4-12-20-52/h1-48H
InChIKeyFRJIRSGTDSDPTM-UHFFFAOYSA-N
XLogP18.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline (CID 58850719) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
The InChIKey is FRJIRSGTDSDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-5-13-49(14-6-1)55-25-37-61(38-26-55)67(62-39-27-56(28-40-62)50-15-7-2-8-16-50)65-45-33-59(34-46-65)53-21-23-54(24-22-53)60-35-47-66(48-36-60)68(63-41-29-57(30-42-63)51-17-9-3-10-18-51)64-43-31-58(32-44-64)52-19-11-4-12-20-52/h1-48H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline has a molecular weight of 869.12 g/mol, XLogP of 18.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 58850719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).