N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine

C66H43N — CID 59307858

IUPACN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cccc(-c6cccc7ccccc67)c5)c5cc6ccccc6c6ccccc56)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C66H43N/c1-4-20-45(21-5-1)60-43-61(46-22-6-2-7-23-46)65-58-36-17-15-34-56(58)62-42-51(38-39-59(62)66(65)64(60)47-25-8-3-9-26-47)67(63-41-49-27-11-13-32-54(49)55-33-14-16-35-57(55)63)50-30-18-29-48(40-50)53-37-19-28-44-24-10-12-31-52(44)53/h1-43H
InChIKeyZPORQMGBRORNNT-UHFFFAOYSA-N
MW850.08 g/mol
LogP18.74
Rot. Bonds7

About N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine

N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine (PubChem CID 59307858) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
PubChem CID59307858
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cccc(-c6cccc7ccccc67)c5)c5cc6ccccc6c6ccccc56)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C66H43N/c1-4-20-45(21-5-1)60-43-61(46-22-6-2-7-23-46)65-58-36-17-15-34-56(58)62-42-51(38-39-59(62)66(65)64(60)47-25-8-3-9-26-47)67(63-41-49-27-11-13-32-54(49)55-33-14-16-35-57(55)63)50-30-18-29-48(40-50)53-37-19-28-44-24-10-12-31-52(44)53/h1-43H
InChIKeyZPORQMGBRORNNT-UHFFFAOYSA-N
XLogP18.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 518.74
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

6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
4-[phenanthren-9-yl-(5,6,8-triphenyltriphenylen-2-yl)amino]benzenethiol
CID 89072735
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59307862
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 59308295
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine;N-naphthalen-1-yl-5,6,8-triphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 161446065
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
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-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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,5,6,8-tetraphenyltriphenylen-2-amine;N-(3-naphthalen-1-ylphenyl)-N,5,6,8-tetraphenyltriphenylen-2-amine
CID 158527440
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine (CID 59307858) is N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cccc(-c6cccc7ccccc67)c5)c5cc6ccccc6c6ccccc56)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine?
The InChIKey is ZPORQMGBRORNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-4-20-45(21-5-1)60-43-61(46-22-6-2-7-23-46)65-58-36-17-15-34-56(58)62-42-51(38-39-59(62)66(65)64(60)47-25-8-3-9-26-47)67(63-41-49-27-11-13-32-54(49)55-33-14-16-35-57(55)63)50-30-18-29-48(40-50)53-37-19-28-44-24-10-12-31-52(44)53/h1-43H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine?
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine has a molecular weight of 850.08 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine is sourced from PubChem (CID 59307858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).