N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline

C48H33N — CID 166566606

IUPACN-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C48H33N/c1-2-12-34(13-3-1)36-24-28-41(29-25-36)49(42-30-26-37(27-31-42)39-23-22-35-14-4-5-15-38(35)32-39)48-21-11-10-20-46(48)47-33-40-16-6-7-17-43(40)44-18-8-9-19-45(44)47/h1-33H
InChIKeyUBQGQPOVURNCFN-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline (PubChem CID 166566606) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
PubChem CID166566606
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C48H33N/c1-2-12-34(13-3-1)36-24-28-41(29-25-36)49(42-30-26-37(27-31-42)39-23-22-35-14-4-5-15-38(35)32-39)48-21-11-10-20-46(48)47-33-40-16-6-7-17-43(40)44-18-8-9-19-45(44)47/h1-33H
InChIKeyUBQGQPOVURNCFN-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
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,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614539
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
2-(4-chrysen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 170675794
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
CID 170141339
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline (CID 166566606) is N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
The InChIKey is UBQGQPOVURNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-2-12-34(13-3-1)36-24-28-41(29-25-36)49(42-30-26-37(27-31-42)39-23-22-35-14-4-5-15-38(35)32-39)48-21-11-10-20-46(48)47-33-40-16-6-7-17-43(40)44-18-8-9-19-45(44)47/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166566606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).