N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C54H37FN2 — CID 123538794

IUPACN-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESFc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccc(C=Cc4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc32)cc1
InChIInChI=1S/C54H37FN2/c55-46-26-32-48(33-27-46)57-52-35-39(23-34-51(52)53(42-13-3-1-4-14-42)54(57)43-15-5-2-6-16-43)20-19-38-21-28-47(29-22-38)56(49-30-24-40-11-7-9-17-44(40)36-49)50-31-25-41-12-8-10-18-45(41)37-50/h1-37H
InChIKeyQALSLQJOYBBDGG-UHFFFAOYSA-N
MW732.90 g/mol
LogP15.05
Rot. Bonds8

About N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 123538794) has the molecular formula C54H37FN2 and a molecular weight of 732.90 g/mol. Its IUPAC name is N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID123538794
Molecular FormulaC54H37FN2
Molecular Weight732.90 g/mol
Exact Mass732.29
IUPAC NameN-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESFc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccc(C=Cc4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc32)cc1
InChIInChI=1S/C54H37FN2/c55-46-26-32-48(33-27-46)57-52-35-39(23-34-51(52)53(42-13-3-1-4-14-42)54(57)43-15-5-2-6-16-43)20-19-38-21-28-47(29-22-38)56(49-30-24-40-11-7-9-17-44(40)36-49)50-31-25-41-12-8-10-18-45(41)37-50/h1-37H
InChIKeyQALSLQJOYBBDGG-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-N-[4-[1-phenyl-2,3-bis(4-phenylphenyl)indol-6-yl]phenyl]naphthalen-2-amine
CID 118459327
N-[4-(2,3-diphenylindol-1-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59098802
N,N,9-triphenyl-7-[(E)-2-[6-(10-phenylphenanthren-9-yl)naphthalen-2-yl]ethenyl]carbazol-2-amine
CID 89074929
N-naphthalen-1-yl-N-[4-[5-[1-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]-2,3-diphenylindol-5-yl]-2,3-diphenylindol-1-yl]phenyl]naphthalen-2-amine
CID 59184224
1,2,3-triphenylbenzo[f]indole
CID 102138150
4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123536272
4-phenyl-N,N-bis[4-(1,2,3-triphenylindol-5-yl)phenyl]aniline
CID 58161105
N-[4-[5-[1-[4-(dinaphthalen-2-ylamino)phenyl]-2-methyl-3-phenylindol-5-yl]-2-methyl-3-phenylindol-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59184359
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
N,N-bis[4-(3-phenylphenyl)phenyl]-4-(1,2,3-triphenylindol-5-yl)aniline
CID 58161042

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 123538794) is N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is Fc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3ccc(C=Cc4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc32)cc1.
What is the InChIKey of N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is QALSLQJOYBBDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37FN2/c55-46-26-32-48(33-27-46)57-52-35-39(23-34-51(52)53(42-13-3-1-4-14-42)54(57)43-15-5-2-6-16-43)20-19-38-21-28-47(29-22-38)56(49-30-24-40-11-7-9-17-44(40)36-49)50-31-25-41-12-8-10-18-45(41)37-50/h1-37H.
What are the key properties of N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 732.90 g/mol, XLogP of 15.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(4-fluorophenyl)-2,3-diphenylindol-6-yl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 123538794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).