N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline

C52H33F2N — CID 90336195

IUPACN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline
SMILESFc1ccccc1N(c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1)c1ccccc1F
InChIInChI=1S/C52H33F2N/c53-47-23-7-9-25-49(47)55(50-26-10-8-24-48(50)54)38-30-27-34(28-31-38)37-29-32-45-46(33-37)52(42-22-12-16-36-14-2-4-18-40(36)42)44-20-6-5-19-43(44)51(45)41-21-11-15-35-13-1-3-17-39(35)41/h1-33H
InChIKeyFHRDMZAFCAAKGQ-UHFFFAOYSA-N
MW709.84 g/mol
LogP15.05
Rot. Bonds6

About N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline (PubChem CID 90336195) has the molecular formula C52H33F2N and a molecular weight of 709.84 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline
PubChem CID90336195
Molecular FormulaC52H33F2N
Molecular Weight709.84 g/mol
Exact Mass709.26
IUPAC NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline
SMILESFc1ccccc1N(c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1)c1ccccc1F
InChIInChI=1S/C52H33F2N/c53-47-23-7-9-25-49(47)55(50-26-10-8-24-48(50)54)38-30-27-34(28-31-38)37-29-32-45-46(33-37)52(42-22-12-16-36-14-2-4-18-40(36)42)44-20-6-5-19-43(44)51(45)41-21-11-15-35-13-1-3-17-39(35)41/h1-33H
InChIKeyFHRDMZAFCAAKGQ-UHFFFAOYSA-N
XLogP15.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.84
LogP ≤ 515.05
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

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
CID 90336189
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
CID 90336227
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline?
The IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline (CID 90336195) is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline?
The canonical SMILES for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline is Fc1ccccc1N(c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1)c1ccccc1F.
What is the InChIKey of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline?
The InChIKey is FHRDMZAFCAAKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33F2N/c53-47-23-7-9-25-49(47)55(50-26-10-8-24-48(50)54)38-30-27-34(28-31-38)37-29-32-45-46(33-37)52(42-22-12-16-36-14-2-4-18-40(36)42)44-20-6-5-19-43(44)51(45)41-21-11-15-35-13-1-3-17-39(35)41/h1-33H.
What are the key properties of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline?
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline has a molecular weight of 709.84 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline is sourced from PubChem (CID 90336195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).