N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline

C50H43N — CID 130197529

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C50H43N/c1-2-9-38(10-3-1)40-19-25-44(26-20-40)51(49-16-7-6-14-48(49)47-15-8-12-42-11-4-5-13-46(42)47)45-27-21-41(22-28-45)39-17-23-43(24-18-39)50-32-35-29-36(33-50)31-37(30-35)34-50/h1-28,35-37H,29-34H2
InChIKeyVACGEEFGBZJYJX-UHFFFAOYSA-N
MW657.90 g/mol
LogP13.78
Rot. Bonds7

About N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline

N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 130197529) has the molecular formula C50H43N and a molecular weight of 657.90 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
PubChem CID130197529
Molecular FormulaC50H43N
Molecular Weight657.90 g/mol
Exact Mass657.34
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C50H43N/c1-2-9-38(10-3-1)40-19-25-44(26-20-40)51(49-16-7-6-14-48(49)47-15-8-12-42-11-4-5-13-46(42)47)45-27-21-41(22-28-45)39-17-23-43(24-18-39)50-32-35-29-36(33-50)31-37(30-35)34-50/h1-28,35-37H,29-34H2
InChIKeyVACGEEFGBZJYJX-UHFFFAOYSA-N
XLogP13.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.90
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 130203868
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 161446051
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 169028412
N-[4-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-ylphenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 130204057
N-[4-(1-adamantyl)phenyl]-4-naphthalen-1-yl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]naphthalen-1-amine
CID 155105505
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-1-amine
CID 169028376
N-[4-[4-(1-adamantyl)phenyl]-2-naphthalen-2-ylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 137414910
9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
CID 164768042
N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139352768

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline (CID 130197529) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The InChIKey is VACGEEFGBZJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N/c1-2-9-38(10-3-1)40-19-25-44(26-20-40)51(49-16-7-6-14-48(49)47-15-8-12-42-11-4-5-13-46(42)47)45-27-21-41(22-28-45)39-17-23-43(24-18-39)50-32-35-29-36(33-50)31-37(30-35)34-50/h1-28,35-37H,29-34H2.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 657.90 g/mol, XLogP of 13.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 130197529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).