N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine

C38H27N — CID 22392519

IUPACN-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3cccc4cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C38H27N/c1-4-13-28(14-5-1)32-23-24-35(29-15-6-2-7-16-29)38(27-32)39(34-20-8-3-9-21-34)37-22-12-19-33-25-30-17-10-11-18-31(30)26-36(33)37/h1-27H
InChIKeyWKQBXMDQXHZWOW-UHFFFAOYSA-N
MW497.64 g/mol
LogP10.80
Rot. Bonds5

About N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine

N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine (PubChem CID 22392519) has the molecular formula C38H27N and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine.

Molecular Properties

Compound NameN-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine
PubChem CID22392519
Molecular FormulaC38H27N
Molecular Weight497.64 g/mol
Exact Mass497.21
IUPAC NameN-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3cccc4cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C38H27N/c1-4-13-28(14-5-1)32-23-24-35(29-15-6-2-7-16-29)38(27-32)39(34-20-8-3-9-21-34)37-22-12-19-33-25-30-17-10-11-18-31(30)26-36(33)37/h1-27H
InChIKeyWKQBXMDQXHZWOW-UHFFFAOYSA-N
XLogP10.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 510.80
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

1-N,2-N-di(anthracen-1-yl)-1-N,2-N-diphenyl-3-(4-phenylphenyl)benzene-1,2-diamine
CID 18680487
2,5-dinaphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)aniline
CID 167235748
N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-(2-phenylphenyl)aniline
CID 167233900
N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine
CID 176587969
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine?
The IUPAC name of N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine (CID 22392519) is N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine.
What is the SMILES notation for N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine?
The canonical SMILES for N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine is c1ccc(-c2ccc(-c3ccccc3)c(N(c3ccccc3)c3cccc4cc5ccccc5cc34)c2)cc1.
What is the InChIKey of N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine?
The InChIKey is WKQBXMDQXHZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N/c1-4-13-28(14-5-1)32-23-24-35(29-15-6-2-7-16-29)38(27-32)39(34-20-8-3-9-21-34)37-22-12-19-33-25-30-17-10-11-18-31(30)26-36(33)37/h1-27H.
What are the key properties of N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine?
N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine has a molecular weight of 497.64 g/mol, XLogP of 10.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diphenylphenyl)-N-phenylanthracen-1-amine is sourced from PubChem (CID 22392519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).