N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C56H37N — CID 59308764

IUPACN-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)c3c4ccccc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C56H37N/c1-3-17-40(18-4-1)52-37-53(55-50-25-13-11-23-48(50)49-24-12-14-26-51(49)56(55)54(52)42-19-5-2-6-20-42)41-29-31-45(32-30-41)57(46-33-27-38-15-7-9-21-43(38)35-46)47-34-28-39-16-8-10-22-44(39)36-47/h1-37H
InChIKeyJOKSAKQALBQRKN-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 59308764) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID59308764
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)c3c4ccccc4c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C56H37N/c1-3-17-40(18-4-1)52-37-53(55-50-25-13-11-23-48(50)49-24-12-14-26-51(49)56(55)54(52)42-19-5-2-6-20-42)41-29-31-45(32-30-41)57(46-33-27-38-15-7-9-21-43(38)35-46)47-34-28-39-16-8-10-22-44(39)36-47/h1-37H
InChIKeyJOKSAKQALBQRKN-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
CID 159285564
4-(7-naphthalen-1-yl-3,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-2-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 161212019
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
9,9-dimethyl-N,N-dinaphthalen-2-yl-7-(5,6,8-triphenyltriphenylen-2-yl)fluoren-2-amine
CID 59308268
N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 59308295

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 59308764) is N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is c1ccc(-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)c3c4ccccc4c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is JOKSAKQALBQRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-17-40(18-4-1)52-37-53(55-50-25-13-11-23-48(50)49-24-12-14-26-51(49)56(55)54(52)42-19-5-2-6-20-42)41-29-31-45(32-30-41)57(46-33-27-38-15-7-9-21-43(38)35-46)47-34-28-39-16-8-10-22-44(39)36-47/h1-37H.
What are the key properties of N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 59308764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).