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

C58H38FN — CID 90336189

IUPACN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)cc1
InChIInChI=1S/C58H38FN/c59-45-29-35-48(36-30-45)60(46-31-24-40(25-32-46)39-12-2-1-3-13-39)47-33-26-41(27-34-47)44-28-37-55-56(38-44)58(52-23-11-17-43-15-5-7-19-50(43)52)54-21-9-8-20-53(54)57(55)51-22-10-16-42-14-4-6-18-49(42)51/h1-38H
InChIKeyQCZLROUNDJKQLV-UHFFFAOYSA-N
MW767.95 g/mol
LogP16.58
Rot. Bonds7

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

N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline (PubChem CID 90336189) has the molecular formula C58H38FN and a molecular weight of 767.95 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
PubChem CID90336189
Molecular FormulaC58H38FN
Molecular Weight767.95 g/mol
Exact Mass767.30
IUPAC NameN-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
SMILESFc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)cc1
InChIInChI=1S/C58H38FN/c59-45-29-35-48(36-30-45)60(46-31-24-40(25-32-46)39-12-2-1-3-13-39)47-33-26-41(27-34-47)44-28-37-55-56(38-44)58(52-23-11-17-43-15-5-7-19-50(43)52)54-21-9-8-20-53(54)57(55)51-22-10-16-42-14-4-6-18-49(42)51/h1-38H
InChIKeyQCZLROUNDJKQLV-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

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
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
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-fluoro-N-(2-fluorophenyl)aniline
CID 90336195
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline?
The IUPAC name of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline (CID 90336189) is N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline is Fc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)cc1.
What is the InChIKey of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline?
The InChIKey is QCZLROUNDJKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38FN/c59-45-29-35-48(36-30-45)60(46-31-24-40(25-32-46)39-12-2-1-3-13-39)47-33-26-41(27-34-47)44-28-37-55-56(38-44)58(52-23-11-17-43-15-5-7-19-50(43)52)54-21-9-8-20-53(54)57(55)51-22-10-16-42-14-4-6-18-49(42)51/h1-38H.
What are the key properties of N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline?
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-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 N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline is sourced from PubChem (CID 90336189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).