4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline

C47H35FN2 — CID 89457920

IUPAC4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)cc(F)c2ccccc23)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C47H35FN2/c1-47(2)42-19-11-12-20-45(42)50(38-26-27-39-34(29-38)31-44(48)41-18-10-9-17-40(39)41)46-28-23-33(30-43(46)47)32-21-24-37(25-22-32)49(35-13-5-3-6-14-35)36-15-7-4-8-16-36/h3-31H,1-2H3
InChIKeyAKSAZQFPPMVALW-UHFFFAOYSA-N
MW646.81 g/mol
LogP13.38
Rot. Bonds5

About 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline

4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline (PubChem CID 89457920) has the molecular formula C47H35FN2 and a molecular weight of 646.81 g/mol. Its IUPAC name is 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
PubChem CID89457920
Molecular FormulaC47H35FN2
Molecular Weight646.81 g/mol
Exact Mass646.28
IUPAC Name4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)cc(F)c2ccccc23)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C47H35FN2/c1-47(2)42-19-11-12-20-45(42)50(38-26-27-39-34(29-38)31-44(48)41-18-10-9-17-40(39)41)46-28-23-33(30-43(46)47)32-21-24-37(25-22-32)49(35-13-5-3-6-14-35)36-15-7-4-8-16-36/h3-31H,1-2H3
InChIKeyAKSAZQFPPMVALW-UHFFFAOYSA-N
XLogP13.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.81
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(9,9-dimethyl-7,10-diphenylacridin-2-yl)-N,N-diphenylnaphthalen-2-amine;N-[4-(9,9-dimethyl-10-phenanthren-2-ylacridin-2-yl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N,4-diphenyl-N-[4-(7,9,9-trimethyl-10-phenylacridin-2-yl)phenyl]aniline;4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
CID 157390516
4-(9,9-dimethyl-7-phenanthren-3-yl-10-phenylacridin-2-yl)-N,N-diphenylaniline
CID 118122536
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 121475671
N-[4-[4-(N-(9,9-dimethyl-7,10-diphenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N,7,10-triphenylacridin-2-amine;N-[4-[4-(N-[9,9-dimethyl-10-(4-methylphenyl)-7-phenylacridin-2-yl]anilino)phenyl]phenyl]-9,9-dimethyl-10-(4-methylphenyl)-N,7-diphenylacridin-2-amine;N-[4-[4-(N-(9,9-dimethyl-10-naphthalen-1-yl-7-phenylacridin-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-10-naphthalen-1-yl-N,7-diphenylacridin-2-amine;N-[4-[4-[(9,9-dimethyl-10-phenylacridin-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-phenylacridin-2-amine;N-[4-[4-[[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-yl-10-(4-phenylphenyl)acridin-2-amine
CID 159235712
3-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;4-[9,9-dimethyl-10-[4-(2-phenylphenyl)phenyl]acridin-2-yl]-N,N-diphenylaniline;N-[4-[9,9-dimethyl-10-(5-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acridin-2-yl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 159066790
4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile
CID 146209492
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]phenyl]-N,4-diphenylaniline
CID 139528091

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline (CID 89457920) is 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline is CC1(C)c2ccccc2N(c2ccc3c(c2)cc(F)c2ccccc23)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline?
The InChIKey is AKSAZQFPPMVALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35FN2/c1-47(2)42-19-11-12-20-45(42)50(38-26-27-39-34(29-38)31-44(48)41-18-10-9-17-40(39)41)46-28-23-33(30-43(46)47)32-21-24-37(25-22-32)49(35-13-5-3-6-14-35)36-15-7-4-8-16-36/h3-31H,1-2H3.
What are the key properties of 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline?
4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline has a molecular weight of 646.81 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 89457920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).