N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline

C64H43N — CID 167234570

IUPACN-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C64H43N/c1-2-15-48(16-3-1)60-39-34-54(63-42-53-19-7-9-24-59(53)61-25-10-11-26-62(61)63)43-64(60)65(56-37-32-46(33-38-56)51-29-28-44-14-4-5-18-49(44)40-51)55-35-30-45(31-36-55)50-21-12-22-52(41-50)58-27-13-20-47-17-6-8-23-57(47)58/h1-43H
InChIKeyYLUBFAFUNVNPCV-UHFFFAOYSA-N
MW826.06 g/mol
LogP18.10
Rot. Bonds8

About N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline

N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline (PubChem CID 167234570) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
PubChem CID167234570
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C64H43N/c1-2-15-48(16-3-1)60-39-34-54(63-42-53-19-7-9-24-59(53)61-25-10-11-26-62(61)63)43-64(60)65(56-37-32-46(33-38-56)51-29-28-44-14-4-5-18-49(44)40-51)55-35-30-45(31-36-55)50-21-12-22-52(41-50)58-27-13-20-47-17-6-8-23-57(47)58/h1-43H
InChIKeyYLUBFAFUNVNPCV-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-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167234610
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline (CID 167234570) is N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline is c1ccc(-c2ccc(-c3cc4ccccc4c4ccccc34)cc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline?
The InChIKey is YLUBFAFUNVNPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-2-15-48(16-3-1)60-39-34-54(63-42-53-19-7-9-24-59(53)61-25-10-11-26-62(61)63)43-64(60)65(56-37-32-46(33-38-56)51-29-28-44-14-4-5-18-49(44)40-51)55-35-30-45(31-36-55)50-21-12-22-52(41-50)58-27-13-20-47-17-6-8-23-57(47)58/h1-43H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline?
N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline 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 N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5-phenanthren-9-yl-2-phenylaniline is sourced from PubChem (CID 167234570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).