N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine

C38H45N — CID 166497801

IUPACN-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C38H45N/c1-35(2,3)26-17-15-25(16-18-26)29-23-27(36(4,5)6)19-22-34(29)39-28-20-21-32-33(24-28)38(9,10)31-14-12-11-13-30(31)37(32,7)8/h11-24,39H,1-10H3
InChIKeyYWFMEKJCVLGGPD-UHFFFAOYSA-N
MW515.79 g/mol
LogP10.66
Rot. Bonds3

About N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine

N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine (PubChem CID 166497801) has the molecular formula C38H45N and a molecular weight of 515.79 g/mol. Its IUPAC name is N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine.

Molecular Properties

Compound NameN-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
PubChem CID166497801
Molecular FormulaC38H45N
Molecular Weight515.79 g/mol
Exact Mass515.36
IUPAC NameN-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C38H45N/c1-35(2,3)26-17-15-25(16-18-26)29-23-27(36(4,5)6)19-22-34(29)39-28-20-21-32-33(24-28)38(9,10)31-14-12-11-13-30(31)37(32,7)8/h11-24,39H,1-10H3
InChIKeyYWFMEKJCVLGGPD-UHFFFAOYSA-N
XLogP10.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.79
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595906
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 164931155
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
CID 164550748
N-(4-tert-butyl-2-phenylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 167250996
4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155120070
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
N-(4-dibenzothiophen-2-yl-2-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 154949770

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine?
The IUPAC name of N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine (CID 166497801) is N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine.
What is the SMILES notation for N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine?
The canonical SMILES for N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine is CC(C)(C)c1ccc(-c2cc(C(C)(C)C)ccc2Nc2ccc3c(c2)C(C)(C)c2ccccc2C3(C)C)cc1.
What is the InChIKey of N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine?
The InChIKey is YWFMEKJCVLGGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N/c1-35(2,3)26-17-15-25(16-18-26)29-23-27(36(4,5)6)19-22-34(29)39-28-20-21-32-33(24-28)38(9,10)31-14-12-11-13-30(31)37(32,7)8/h11-24,39H,1-10H3.
What are the key properties of N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine?
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine has a molecular weight of 515.79 g/mol, XLogP of 10.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine is sourced from PubChem (CID 166497801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).