N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane

C34H29N — CID 142283277

IUPACN-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
SMILESCC.c1ccc(-c2ccc(Nc3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C32H23N.C2H6/c1-2-8-23(9-3-1)24-14-18-28(19-15-24)33-29-20-16-25(17-21-29)32-30-12-6-4-10-26(30)22-27-11-5-7-13-31(27)32;1-2/h1-22,33H;1-2H3
InChIKeyDRBNQNNWONPIDI-UHFFFAOYSA-N
MW451.61 g/mol
LogP10.10
Rot. Bonds4

About N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane

N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane (PubChem CID 142283277) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane.

Molecular Properties

Compound NameN-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
PubChem CID142283277
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC NameN-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
SMILESCC.c1ccc(-c2ccc(Nc3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C32H23N.C2H6/c1-2-8-23(9-3-1)24-14-18-28(19-15-24)33-29-20-16-25(17-21-29)32-30-12-6-4-10-26(30)22-27-11-5-7-13-31(27)32;1-2/h1-22,33H;1-2H3
InChIKeyDRBNQNNWONPIDI-UHFFFAOYSA-N
XLogP10.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 510.10
H-Bond Donors ≤ 51
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-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
tetrakis(2,2-dimethylpropane);tris(9,10-diphenylanthracene);ethane;naphthalene;9-phenylanthracene;toluene
CID 160549128
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
N,10-diphenylanthracen-1-amine
CID 135183397
CID 88964957
CID 88964957
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
N,N,4-tris(4-anthracen-9-ylphenyl)aniline
CID 58383816

Frequently Asked Questions

What is the IUPAC name of N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane?
The IUPAC name of N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane (CID 142283277) is N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane.
What is the SMILES notation for N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane?
The canonical SMILES for N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane is CC.c1ccc(-c2ccc(Nc3ccc(-c4c5ccccc5cc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane?
The InChIKey is DRBNQNNWONPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N.C2H6/c1-2-8-23(9-3-1)24-14-18-28(19-15-24)33-29-20-16-25(17-21-29)32-30-12-6-4-10-26(30)22-27-11-5-7-13-31(27)32;1-2/h1-22,33H;1-2H3.
What are the key properties of N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane?
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane has a molecular weight of 451.61 g/mol, XLogP of 10.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane is sourced from PubChem (CID 142283277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).