4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline

C54H37N — CID 153357627

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)cc3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-13-38(14-4-1)40-25-31-45(32-26-40)55(46-33-27-41(28-34-46)39-15-5-2-6-16-39)47-35-29-42(30-36-47)43-17-11-18-44(37-43)48-23-12-24-53-51-20-8-7-19-49(51)50-21-9-10-22-52(50)54(48)53/h1-37H
InChIKeyOSKDGAWEWLKTLE-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline (PubChem CID 153357627) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
PubChem CID153357627
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)cc3)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-13-38(14-4-1)40-25-31-45(32-26-40)55(46-33-27-41(28-34-46)39-15-5-2-6-16-39)47-35-29-42(30-36-47)43-17-11-18-44(37-43)48-23-12-24-53-51-20-8-7-19-49(51)50-21-9-10-22-52(50)54(48)53/h1-37H
InChIKeyOSKDGAWEWLKTLE-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
CID 153357597
N-[4-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665574
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
5-N,18-N-diphenyl-5-N,18-N-bis[4-(3-phenylphenyl)phenyl]hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010766
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline (CID 153357627) is 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline?
The InChIKey is OSKDGAWEWLKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-13-38(14-4-1)40-25-31-45(32-26-40)55(46-33-27-41(28-34-46)39-15-5-2-6-16-39)47-35-29-42(30-36-47)43-17-11-18-44(37-43)48-23-12-24-53-51-20-8-7-19-49(51)50-21-9-10-22-52(50)54(48)53/h1-37H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 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-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 153357627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).