N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine

C46H31N — CID 176588058

IUPACN-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C46H31N/c1-2-14-40(15-3-1)47(42-26-27-45-38(30-42)21-19-34-11-6-8-16-43(34)45)41-24-22-33(23-25-41)39-29-36-13-7-9-17-44(36)46(31-39)37-20-18-32-10-4-5-12-35(32)28-37/h1-31H
InChIKeyUFHSVHCLBWAOJB-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine

N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine (PubChem CID 176588058) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine
PubChem CID176588058
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C46H31N/c1-2-14-40(15-3-1)47(42-26-27-45-38(30-42)21-19-34-11-6-8-16-43(34)45)41-24-22-33(23-25-41)39-29-36-13-7-9-17-44(36)46(31-39)37-20-18-32-10-4-5-12-35(32)28-37/h1-31H
InChIKeyUFHSVHCLBWAOJB-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-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 176588198
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
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
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 176588016

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine?
The IUPAC name of N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine (CID 176588058) is N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine is c1ccc(N(c2ccc(-c3cc(-c4ccc5ccccc5c4)c4ccccc4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine?
The InChIKey is UFHSVHCLBWAOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-14-40(15-3-1)47(42-26-27-45-38(30-42)21-19-34-11-6-8-16-43(34)45)41-24-22-33(23-25-41)39-29-36-13-7-9-17-44(36)46(31-39)37-20-18-32-10-4-5-12-35(32)28-37/h1-31H.
What are the key properties of N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine?
N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-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-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine is sourced from PubChem (CID 176588058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).