N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine

C46H31N — CID 176587969

IUPACN-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccc(-c5ccc6ccccc6c5)cc34)cc2)c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C46H31N/c1-2-16-41(17-3-1)47(46-19-9-15-40-29-36-12-6-7-13-37(36)31-45(40)46)42-26-24-34(25-27-42)43-18-8-14-33-21-23-39(30-44(33)43)38-22-20-32-10-4-5-11-35(32)28-38/h1-31H
InChIKeyBMDMNRBOOMYHSE-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine

N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine (PubChem CID 176587969) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine.

Molecular Properties

Compound NameN-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine
PubChem CID176587969
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccc(-c5ccc6ccccc6c5)cc34)cc2)c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C46H31N/c1-2-16-41(17-3-1)47(46-19-9-15-40-29-36-12-6-7-13-37(36)31-45(40)46)42-26-24-34(25-27-42)43-18-8-14-33-21-23-39(30-44(33)43)38-22-20-32-10-4-5-11-35(32)28-38/h1-31H
InChIKeyBMDMNRBOOMYHSE-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_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
CID 166032937
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine?
The IUPAC name of N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine (CID 176587969) is N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine.
What is the SMILES notation for N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine?
The canonical SMILES for N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine is c1ccc(N(c2ccc(-c3cccc4ccc(-c5ccc6ccccc6c5)cc34)cc2)c2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine?
The InChIKey is BMDMNRBOOMYHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-16-41(17-3-1)47(46-19-9-15-40-29-36-12-6-7-13-37(36)31-45(40)46)42-26-24-34(25-27-42)43-18-8-14-33-21-23-39(30-44(33)43)38-22-20-32-10-4-5-11-35(32)28-38/h1-31H.
What are the key properties of N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine?
N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-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-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine is sourced from PubChem (CID 176587969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).