4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline

C48H33N — CID 155055763

IUPAC4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=Cc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c3c(-c4ccccc4)ccc1c23
InChIInChI=1S/C48H33N/c1-4-10-34(11-5-1)36-18-26-42(27-19-36)49(43-28-20-37(21-29-43)35-12-6-2-7-13-35)44-30-22-39(23-31-44)46-33-25-41-17-16-40-24-32-45(48(46)47(40)41)38-14-8-3-9-15-38/h1-33H
InChIKeyHVPLCUMNBJAYBY-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.46
Rot. Bonds7

About 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 155055763) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID155055763
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESC1=Cc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c3c(-c4ccccc4)ccc1c23
InChIInChI=1S/C48H33N/c1-4-10-34(11-5-1)36-18-26-42(27-19-36)49(43-28-20-37(21-29-43)35-12-6-2-7-13-35)44-30-22-39(23-31-44)46-33-25-41-17-16-40-24-32-45(48(46)47(40)41)38-14-8-3-9-15-38/h1-33H
InChIKeyHVPLCUMNBJAYBY-UHFFFAOYSA-N
XLogP13.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
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-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 155055763) is 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline is C1=Cc2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c3c(-c4ccccc4)ccc1c23.
What is the InChIKey of 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HVPLCUMNBJAYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-4-10-34(11-5-1)36-18-26-42(27-19-36)49(43-28-20-37(21-29-43)35-12-6-2-7-13-35)44-30-22-39(23-31-44)46-33-25-41-17-16-40-24-32-45(48(46)47(40)41)38-14-8-3-9-15-38/h1-33H.
What are the key properties of 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 623.80 g/mol, XLogP of 13.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(6-phenylacenaphthylen-5-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 155055763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).