4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline

C67H53N3 — CID 90058040

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline
SMILESCCCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H53N3/c1-2-49-68-66(58-31-43-64(44-32-58)69(60-35-23-54(24-36-60)50-15-7-3-8-16-50)61-37-25-55(26-38-61)51-17-9-4-10-18-51)47-48-67(68)59-33-45-65(46-34-59)70(62-39-27-56(28-40-62)52-19-11-5-12-20-52)63-41-29-57(30-42-63)53-21-13-6-14-22-53/h3-48H,2,49H2,1H3
InChIKeyLJXXLFOTCCKAFD-UHFFFAOYSA-N
MW900.18 g/mol
LogP18.84
Rot. Bonds14

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline (PubChem CID 90058040) has the molecular formula C67H53N3 and a molecular weight of 900.18 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline
PubChem CID90058040
Molecular FormulaC67H53N3
Molecular Weight900.18 g/mol
Exact Mass899.42
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline
SMILESCCCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H53N3/c1-2-49-68-66(58-31-43-64(44-32-58)69(60-35-23-54(24-36-60)50-15-7-3-8-16-50)61-37-25-55(26-38-61)51-17-9-4-10-18-51)47-48-67(68)59-33-45-65(46-34-59)70(62-39-27-56(28-40-62)52-19-11-5-12-20-52)63-41-29-57(30-42-63)53-21-13-6-14-22-53/h3-48H,2,49H2,1H3
InChIKeyLJXXLFOTCCKAFD-UHFFFAOYSA-N
XLogP18.84
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.18
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline (CID 90058040) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline is CCCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)ccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline?
The InChIKey is LJXXLFOTCCKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N3/c1-2-49-68-66(58-31-43-64(44-32-58)69(60-35-23-54(24-36-60)50-15-7-3-8-16-50)61-37-25-55(26-38-61)51-17-9-4-10-18-51)47-48-67(68)59-33-45-65(46-34-59)70(62-39-27-56(28-40-62)52-19-11-5-12-20-52)63-41-29-57(30-42-63)53-21-13-6-14-22-53/h3-48H,2,49H2,1H3.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline has a molecular weight of 900.18 g/mol, XLogP of 18.84, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline is sourced from PubChem (CID 90058040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).