N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine

C46H31N — CID 166845854

IUPACN-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-12-32(13-3-1)34-22-24-35(25-23-34)39-16-10-11-21-46(39)47(37-27-26-33-14-4-5-15-36(33)30-37)38-28-29-44-42-19-7-6-17-40(42)41-18-8-9-20-43(41)45(44)31-38/h1-31H
InChIKeyGMSMQDDDSOTKQO-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine

N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine (PubChem CID 166845854) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
PubChem CID166845854
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-12-32(13-3-1)34-22-24-35(25-23-34)39-16-10-11-21-46(39)47(37-27-26-33-14-4-5-15-36(33)30-37)38-28-29-44-42-19-7-6-17-40(42)41-18-8-9-20-43(41)45(44)31-38/h1-31H
InChIKeyGMSMQDDDSOTKQO-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 513.10
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-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062758
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)phenanthren-2-amine;N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 163563772
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170130600
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine (CID 166845854) is N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4ccccc4c3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine?
The InChIKey is GMSMQDDDSOTKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-12-32(13-3-1)34-22-24-35(25-23-34)39-16-10-11-21-46(39)47(37-27-26-33-14-4-5-15-36(33)30-37)38-28-29-44-42-19-7-6-17-40(42)41-18-8-9-20-43(41)45(44)31-38/h1-31H.
What are the key properties of N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine?
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine has a molecular weight of 597.76 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 166845854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).