1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline

C56H71N — CID 161251887

IUPAC1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
SMILESC.CC(C)c1ccc(C(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H34.C27H33N.CH4/c2*1-19(2)22-7-13-25(14-8-22)28(26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6;/h7-21,28H,1-6H3;7-21H,1-6H3;1H4
InChIKeyVBJLDZJOMCASJR-UHFFFAOYSA-N
MW758.19 g/mol
LogP17.40
Rot. Bonds12

About 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline

1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline (PubChem CID 161251887) has the molecular formula C56H71N and a molecular weight of 758.19 g/mol. Its IUPAC name is 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
PubChem CID161251887
Molecular FormulaC56H71N
Molecular Weight758.19 g/mol
Exact Mass757.56
IUPAC Name1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
SMILESC.CC(C)c1ccc(C(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H34.C27H33N.CH4/c2*1-19(2)22-7-13-25(14-8-22)28(26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6;/h7-21,28H,1-6H3;7-21H,1-6H3;1H4
InChIKeyVBJLDZJOMCASJR-UHFFFAOYSA-N
XLogP17.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.19
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
N-(4-butan-2-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline;ethane
CID 143909835
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)benzoic acid
CID 139957756
N,N-bis(4-propan-2-ylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 70936264
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfanylphenyl]-N-(4-tert-butylphenyl)-4-propan-2-ylaniline
CID 138547339
N-[4-[2-[4-[bis(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600737
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
4-[(E)-2-[3,5-bis[(E)-2-[4-(N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 58596504

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline?
The IUPAC name of 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline (CID 161251887) is 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline is C.CC(C)c1ccc(C(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline?
The InChIKey is VBJLDZJOMCASJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34.C27H33N.CH4/c2*1-19(2)22-7-13-25(14-8-22)28(26-15-9-23(10-16-26)20(3)4)27-17-11-24(12-18-27)21(5)6;/h7-21,28H,1-6H3;7-21H,1-6H3;1H4.
What are the key properties of 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline?
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline has a molecular weight of 758.19 g/mol, XLogP of 17.40, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 161251887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).