9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine

C38H23F4N — CID 58927078

IUPAC9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(N(c4ccccc4)c4ccccc4)ccc23)c(F)c1
InChIInChI=1S/C38H23F4N/c39-24-15-18-32(35(41)21-24)37-29-13-7-8-14-30(29)38(33-19-16-25(40)22-36(33)42)34-23-28(17-20-31(34)37)43(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23H
InChIKeyADLOXSIMLLZBSC-UHFFFAOYSA-N
MW569.60 g/mol
LogP11.35
Rot. Bonds5

About 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine

9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine (PubChem CID 58927078) has the molecular formula C38H23F4N and a molecular weight of 569.60 g/mol. Its IUPAC name is 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine.

Molecular Properties

Compound Name9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
PubChem CID58927078
Molecular FormulaC38H23F4N
Molecular Weight569.60 g/mol
Exact Mass569.18
IUPAC Name9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
SMILESFc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(N(c4ccccc4)c4ccccc4)ccc23)c(F)c1
InChIInChI=1S/C38H23F4N/c39-24-15-18-32(35(41)21-24)37-29-13-7-8-14-30(29)38(33-19-16-25(40)22-36(33)42)34-23-28(17-20-31(34)37)43(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23H
InChIKeyADLOXSIMLLZBSC-UHFFFAOYSA-N
XLogP11.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.60
LogP ≤ 511.35
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

9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
CID 90336227
6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
5-N,18-N-bis(4-fluorophenyl)-21,21-dimethyl-5-N,18-N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594481
N-(4-carbazol-9-ylphenyl)-9-[4-[4-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(2-fluorophenyl)anthracen-9-yl]-3-fluorophenyl]-2-fluorophenyl]-10-(2-fluorophenyl)-N-phenylanthracen-1-amine
CID 163655414
2-N,6-N-dinaphthalen-2-yl-9,10-di(phenanthren-9-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 88869094
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
CID 90336189
N,N-diphenyl-3-[10-[4-[10-[3-(N-phenylanilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]aniline
CID 59194325
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine?
The IUPAC name of 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine (CID 58927078) is 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine.
What is the SMILES notation for 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine?
The canonical SMILES for 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine is Fc1ccc(-c2c3ccccc3c(-c3ccc(F)cc3F)c3cc(N(c4ccccc4)c4ccccc4)ccc23)c(F)c1.
What is the InChIKey of 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine?
The InChIKey is ADLOXSIMLLZBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F4N/c39-24-15-18-32(35(41)21-24)37-29-13-7-8-14-30(29)38(33-19-16-25(40)22-36(33)42)34-23-28(17-20-31(34)37)43(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-23H.
What are the key properties of 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine?
9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine has a molecular weight of 569.60 g/mol, XLogP of 11.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine is sourced from PubChem (CID 58927078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).