2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C64H43N — CID 167235226

IUPAC2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H43N/c1-2-10-44(11-3-1)47-18-20-48(21-19-47)49-28-34-59(35-29-49)65(60-36-30-50(31-37-60)54-32-38-62-57(42-54)27-24-51-14-8-9-17-61(51)62)64-43-56(55-25-22-45-12-4-6-15-52(45)40-55)33-39-63(64)58-26-23-46-13-5-7-16-53(46)41-58/h1-43H
InChIKeySXHSENIRNVJPFI-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

About 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167235226) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167235226
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC Name2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H43N/c1-2-10-44(11-3-1)47-18-20-48(21-19-47)49-28-34-59(35-29-49)65(60-36-30-50(31-37-60)54-32-38-62-57(42-54)27-24-51-14-8-9-17-61(51)62)64-43-56(55-25-22-45-12-4-6-15-52(45)40-55)33-39-63(64)58-26-23-46-13-5-7-16-53(46)41-58/h1-43H
InChIKeySXHSENIRNVJPFI-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 518.10
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

5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
2-chrysen-6-yl-N-(4-naphthalen-2-ylphenyl)-N,5-diphenylaniline
CID 170141339
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
CID 167234570
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367

Frequently Asked Questions

What is the IUPAC name of 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167235226) is 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4cc(-c5ccc6ccccc6c5)ccc4-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is SXHSENIRNVJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-2-10-44(11-3-1)47-18-20-48(21-19-47)49-28-34-59(35-29-49)65(60-36-30-50(31-37-60)54-32-38-62-57(42-54)27-24-51-14-8-9-17-61(51)62)64-43-56(55-25-22-45-12-4-6-15-52(45)40-55)33-39-63(64)58-26-23-46-13-5-7-16-53(46)41-58/h1-43H.
What are the key properties of 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 826.06 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167235226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).