2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

C44H44N2 — CID 18977846

IUPAC2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCCC(C)c1ccccc1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3C(C)CC)cc2)cc1
InChIInChI=1S/C44H44N2/c1-5-33(3)41-21-13-15-23-43(41)45(37-17-9-7-10-18-37)39-29-25-35(26-30-39)36-27-31-40(32-28-36)46(38-19-11-8-12-20-38)44-24-16-14-22-42(44)34(4)6-2/h7-34H,5-6H2,1-4H3
InChIKeyWIUZWXLGLWVIBK-UHFFFAOYSA-N
MW600.85 g/mol
LogP13.32
Rot. Bonds11

About 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 18977846) has the molecular formula C44H44N2 and a molecular weight of 600.85 g/mol. Its IUPAC name is 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID18977846
Molecular FormulaC44H44N2
Molecular Weight600.85 g/mol
Exact Mass600.35
IUPAC Name2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCCC(C)c1ccccc1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3C(C)CC)cc2)cc1
InChIInChI=1S/C44H44N2/c1-5-33(3)41-21-13-15-23-43(41)45(37-17-9-7-10-18-37)39-29-25-35(26-30-39)36-27-31-40(32-28-36)46(38-19-11-8-12-20-38)44-24-16-14-22-42(44)34(4)6-2/h7-34H,5-6H2,1-4H3
InChIKeyWIUZWXLGLWVIBK-UHFFFAOYSA-N
XLogP13.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.85
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-propan-2-yl-N-[4-[4-(N-(2-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 19420171
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 58426696
N-[4-[4-(2-butan-2-yl-6-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(2-butan-2-yl-6-methylphenyl)naphthalen-1-amine
CID 118927464
2-butan-2-yl-6-methyl-N,N-diphenylaniline
CID 139836206
4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 18977846) is 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is CCC(C)c1ccccc1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3C(C)CC)cc2)cc1.
What is the InChIKey of 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is WIUZWXLGLWVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2/c1-5-33(3)41-21-13-15-23-43(41)45(37-17-9-7-10-18-37)39-29-25-35(26-30-39)36-27-31-40(32-28-36)46(38-19-11-8-12-20-38)44-24-16-14-22-42(44)34(4)6-2/h7-34H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 600.85 g/mol, XLogP of 13.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-[4-[4-(N-(2-butan-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 18977846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).