N,N,1-triphenylanthracen-2-amine

C32H23N — CID 87853759

IUPACN,N,1-triphenylanthracen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)ccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C32H23N/c1-4-12-24(13-5-1)32-30-23-26-15-11-10-14-25(26)22-27(30)20-21-31(32)33(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23H
InChIKeyVYJSHQAHEBEVEF-UHFFFAOYSA-N
MW421.54 g/mol
LogP9.13
Rot. Bonds4

About N,N,1-triphenylanthracen-2-amine

N,N,1-triphenylanthracen-2-amine (PubChem CID 87853759) has the molecular formula C32H23N and a molecular weight of 421.54 g/mol. Its IUPAC name is N,N,1-triphenylanthracen-2-amine.

Molecular Properties

Compound NameN,N,1-triphenylanthracen-2-amine
PubChem CID87853759
Molecular FormulaC32H23N
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC NameN,N,1-triphenylanthracen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccccc3)ccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C32H23N/c1-4-12-24(13-5-1)32-30-23-26-15-11-10-14-25(26)22-27(30)20-21-31(32)33(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23H
InChIKeyVYJSHQAHEBEVEF-UHFFFAOYSA-N
XLogP9.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 59.13
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,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897
N,N-dimethyl-1-phenylanthracen-2-amine
CID 175971860
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine
CID 164774115
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-2-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 171728091
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
N-(4-carbazol-9-ylphenyl)-N-phenyl-1-(2-phenylphenyl)anthracen-2-amine
CID 121282949
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
4-N-[4-(2-tert-butylanthracen-1-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 87488226
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761

Frequently Asked Questions

What is the IUPAC name of N,N,1-triphenylanthracen-2-amine?
The IUPAC name of N,N,1-triphenylanthracen-2-amine (CID 87853759) is N,N,1-triphenylanthracen-2-amine.
What is the SMILES notation for N,N,1-triphenylanthracen-2-amine?
The canonical SMILES for N,N,1-triphenylanthracen-2-amine is c1ccc(-c2c(N(c3ccccc3)c3ccccc3)ccc3cc4ccccc4cc23)cc1.
What is the InChIKey of N,N,1-triphenylanthracen-2-amine?
The InChIKey is VYJSHQAHEBEVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N/c1-4-12-24(13-5-1)32-30-23-26-15-11-10-14-25(26)22-27(30)20-21-31(32)33(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23H.
What are the key properties of N,N,1-triphenylanthracen-2-amine?
N,N,1-triphenylanthracen-2-amine has a molecular weight of 421.54 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-triphenylanthracen-2-amine is sourced from PubChem (CID 87853759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).