N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline

C56H37NS — CID 164744627

IUPACN-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6s5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C56H37NS/c1-2-10-38(11-3-1)41-24-30-47(31-25-41)57(49-34-28-43(29-35-49)46-23-20-39-12-4-5-13-45(39)36-46)48-32-26-42(27-33-48)40-18-21-44(22-19-40)55-37-54-52-16-7-6-14-50(52)51-15-8-9-17-53(51)56(54)58-55/h1-37H
InChIKeyOUOFLPURPTWIHI-UHFFFAOYSA-N
MW755.99 g/mol
LogP16.50
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline

N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 164744627) has the molecular formula C56H37NS and a molecular weight of 755.99 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline
PubChem CID164744627
Molecular FormulaC56H37NS
Molecular Weight755.99 g/mol
Exact Mass755.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6s5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C56H37NS/c1-2-10-38(11-3-1)41-24-30-47(31-25-41)57(49-34-28-43(29-35-49)46-23-20-39-12-4-5-13-45(39)36-46)48-32-26-42(27-33-48)40-18-21-44(22-19-40)55-37-54-52-16-7-6-14-50(52)51-15-8-9-17-53(51)56(54)58-55/h1-37H
InChIKeyOUOFLPURPTWIHI-UHFFFAOYSA-N
XLogP16.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165042446
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 164744905
4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
CID 165055110
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
CID 102170706
4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165048376
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline (CID 164744627) is N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6s5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is OUOFLPURPTWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NS/c1-2-10-38(11-3-1)41-24-30-47(31-25-41)57(49-34-28-43(29-35-49)46-23-20-39-12-4-5-13-45(39)36-46)48-32-26-42(27-33-48)40-18-21-44(22-19-40)55-37-54-52-16-7-6-14-50(52)51-15-8-9-17-53(51)56(54)58-55/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline?
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 755.99 g/mol, XLogP of 16.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenanthro[9,10-b]thiophen-2-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 164744627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).