N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine

C54H37N — CID 172527140

IUPACN-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C54H37N/c1-2-12-42(13-3-1)52-37-32-43-16-6-9-21-51(43)54(52)45-30-35-47(36-31-45)55(53-23-11-18-41-15-5-8-20-50(41)53)46-33-28-39(29-34-46)38-24-26-44(27-25-38)49-22-10-17-40-14-4-7-19-48(40)49/h1-37H/i28D,29D,33D,34D
InChIKeyDRZZXFGHYYNOAN-IZFVLKMQSA-N
MW703.92 g/mol
LogP15.28
Rot. Bonds7

About N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine

N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 172527140) has the molecular formula C54H37N and a molecular weight of 703.92 g/mol. Its IUPAC name is N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
PubChem CID172527140
Molecular FormulaC54H37N
Molecular Weight703.92 g/mol
Exact Mass703.32
IUPAC NameN-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C54H37N/c1-2-12-42(13-3-1)52-37-32-43-16-6-9-21-51(43)54(52)45-30-35-47(36-31-45)55(53-23-11-18-41-15-5-8-20-50(41)53)46-33-28-39(29-34-46)38-24-26-44(27-25-38)49-22-10-17-40-14-4-7-19-48(40)49/h1-37H/i28D,29D,33D,34D
InChIKeyDRZZXFGHYYNOAN-IZFVLKMQSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.92
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526894
2,3,5,6-tetradeuterio-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)aniline
CID 172527502
2,3,5,6-tetradeuterio-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527562
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527032
2,3,5,6-tetradeuterio-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527428
2,3,5,6-tetradeuterio-N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172526952
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527834
2,3,5,6-tetradeuterio-N-(3-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527714
2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527619
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 171452970
N-[2,3,5,6-tetradeuterio-4-(1-phenylnaphthalen-2-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 172527253
N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 171451825

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (CID 172527140) is N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is [2H]c1c([2H])c(N(c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c2cccc3ccccc23)c([2H])c([2H])c1-c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is DRZZXFGHYYNOAN-IZFVLKMQSA-N. The full InChI is InChI=1S/C54H37N/c1-2-12-42(13-3-1)52-37-32-43-16-6-9-21-51(43)54(52)45-30-35-47(36-31-45)55(53-23-11-18-41-15-5-8-20-50(41)53)46-33-28-39(29-34-46)38-24-26-44(27-25-38)49-22-10-17-40-14-4-7-19-48(40)49/h1-37H/i28D,29D,33D,34D.
What are the key properties of N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?
N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 703.92 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 172527140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).