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

C46H41N — CID 138667897

IUPAC2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4C4C5CC6CC(C5)CC4C6)cc3)cc2)cc1
InChIInChI=1S/C46H41N/c1-3-9-34(10-4-1)36-15-17-37(18-16-36)39-21-25-43(26-22-39)47(42-23-19-38(20-24-42)35-11-5-2-6-12-35)45-14-8-7-13-44(45)46-40-28-32-27-33(30-40)31-41(46)29-32/h1-26,32-33,40-41,46H,27-31H2
InChIKeyBSKPAIHYLGKWIP-UHFFFAOYSA-N
MW607.84 g/mol
LogP12.70
Rot. Bonds7

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

2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 138667897) has the molecular formula C46H41N and a molecular weight of 607.84 g/mol. Its IUPAC name is 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID138667897
Molecular FormulaC46H41N
Molecular Weight607.84 g/mol
Exact Mass607.32
IUPAC Name2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4C4C5CC6CC(C5)CC4C6)cc3)cc2)cc1
InChIInChI=1S/C46H41N/c1-3-9-34(10-4-1)36-15-17-37(18-16-36)39-21-25-43(26-22-39)47(42-23-19-38(20-24-42)35-11-5-2-6-12-35)45-14-8-7-13-44(45)46-40-28-32-27-33(30-40)31-41(46)29-32/h1-26,32-33,40-41,46H,27-31H2
InChIKeyBSKPAIHYLGKWIP-UHFFFAOYSA-N
XLogP12.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.84
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 158992271
N,N-bis(4-phenylphenyl)-2-[2-[2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 163940661
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-[4-(3-pentacyclo[9.3.1.19,13.01,8.02,7]hexadeca-2,4,6-trienyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 138669936
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-[4-[6-[4-(1-adamantyl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139352768
4-(2-adamantyl)-N-phenyl-N-[4-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 174179628
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 138667897) is 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4C4C5CC6CC(C5)CC4C6)cc3)cc2)cc1.
What is the InChIKey of 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is BSKPAIHYLGKWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N/c1-3-9-34(10-4-1)36-15-17-37(18-16-36)39-21-25-43(26-22-39)47(42-23-19-38(20-24-42)35-11-5-2-6-12-35)45-14-8-7-13-44(45)46-40-28-32-27-33(30-40)31-41(46)29-32/h1-26,32-33,40-41,46H,27-31H2.
What are the key properties of 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 607.84 g/mol, XLogP of 12.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 138667897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).