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

C58H38FN — CID 90336227

IUPAC4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
SMILESFc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc2)cc1
InChIInChI=1S/C58H38FN/c59-45-31-35-48(36-32-45)60(46-16-2-1-3-17-46)47-33-28-40(29-34-47)39-24-26-41(27-25-39)44-30-37-55-56(38-44)58(52-23-11-15-43-13-5-7-19-50(43)52)54-21-9-8-20-53(54)57(55)51-22-10-14-42-12-4-6-18-49(42)51/h1-38H
InChIKeyORVYRWITZGZDQQ-UHFFFAOYSA-N
MW767.95 g/mol
LogP16.58
Rot. Bonds7

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

4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline (PubChem CID 90336227) has the molecular formula C58H38FN and a molecular weight of 767.95 g/mol. Its IUPAC name is 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
PubChem CID90336227
Molecular FormulaC58H38FN
Molecular Weight767.95 g/mol
Exact Mass767.30
IUPAC Name4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
SMILESFc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc2)cc1
InChIInChI=1S/C58H38FN/c59-45-31-35-48(36-32-45)60(46-16-2-1-3-17-46)47-33-28-40(29-34-47)39-24-26-41(27-25-39)44-30-37-55-56(38-44)58(52-23-11-15-43-13-5-7-19-50(43)52)54-21-9-8-20-53(54)57(55)51-22-10-14-42-12-4-6-18-49(42)51/h1-38H
InChIKeyORVYRWITZGZDQQ-UHFFFAOYSA-N
XLogP16.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.95
LogP ≤ 516.58
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
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-9,9-dimethylfluoren-2-amine
CID 90336192
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline
CID 90336195
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
4-(9,10-diphenylphenanthren-2-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169063324
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline?
The IUPAC name of 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline (CID 90336227) is 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline.
What is the SMILES notation for 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline?
The canonical SMILES for 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline is Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline?
The InChIKey is ORVYRWITZGZDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38FN/c59-45-31-35-48(36-32-45)60(46-16-2-1-3-17-46)47-33-28-40(29-34-47)39-24-26-41(27-25-39)44-30-37-55-56(38-44)58(52-23-11-15-43-13-5-7-19-50(43)52)54-21-9-8-20-53(54)57(55)51-22-10-14-42-12-4-6-18-49(42)51/h1-38H.
What are the key properties of 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline?
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline has a molecular weight of 767.95 g/mol, XLogP of 16.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline is sourced from PubChem (CID 90336227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).