4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine

C123H117N5O4 — CID 161077645

IUPAC4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.COc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.COc1ccc(Nc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H23NO.C32H25NO.C22H21NO.C20H27N.C17H21NO/c1-34-23-17-14-21(15-18-23)33-22-16-19-27-26-10-4-7-13-30(26)32(31(27)20-22)28-11-5-2-8-24(28)25-9-3-6-12-29(25)32;1-34-27-19-16-25(17-20-27)33-26-18-21-29-28-14-8-9-15-30(28)32(31(29)22-26,23-10-4-2-5-11-23)24-12-6-3-7-13-24;1-22(2)20-7-5-4-6-18(20)19-13-10-16(14-21(19)22)23-15-8-11-17(24-3)12-9-15;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-17(2,3)13-5-7-14(8-6-13)18-15-9-11-16(19-4)12-10-15/h2-20,33H,1H3;2-22,33H,1H3;4-14,23H,1-3H3;7-14,21H,1-6H3;5-12,18H,1-4H3
InChIKeyUFMLSTNKENXMTG-UHFFFAOYSA-N
MW1729.32 g/mol
LogP32.09
Rot. Bonds16

About 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine

4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 161077645) has the molecular formula C123H117N5O4 and a molecular weight of 1729.32 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID161077645
Molecular FormulaC123H117N5O4
Molecular Weight1729.32 g/mol
Exact Mass1727.91
IUPAC Name4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.COc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.COc1ccc(Nc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C32H23NO.C32H25NO.C22H21NO.C20H27N.C17H21NO/c1-34-23-17-14-21(15-18-23)33-22-16-19-27-26-10-4-7-13-30(26)32(31(27)20-22)28-11-5-2-8-24(28)25-9-3-6-12-29(25)32;1-34-27-19-16-25(17-20-27)33-26-18-21-29-28-14-8-9-15-30(28)32(31(29)22-26,23-10-4-2-5-11-23)24-12-6-3-7-13-24;1-22(2)20-7-5-4-6-18(20)19-13-10-16(14-21(19)22)23-15-8-11-17(24-3)12-9-15;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-17(2,3)13-5-7-14(8-6-13)18-15-9-11-16(19-4)12-10-15/h2-20,33H,1H3;2-22,33H,1H3;4-14,23H,1-3H3;7-14,21H,1-6H3;5-12,18H,1-4H3
InChIKeyUFMLSTNKENXMTG-UHFFFAOYSA-N
XLogP32.09
TPSA97.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001729.32
LogP ≤ 532.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)naphthalen-2-amine;9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine;N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 162082331
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-(4-tert-butylphenyl)pyridin-2-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-methoxyphenyl)pyridin-2-amine;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-pyridin-2-ylpyridin-2-amine
CID 161255688
9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 177114050
9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-methoxyphenyl)pyridin-2-amine;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-pyridin-2-ylpyridin-2-amine
CID 160620066
N-(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(trifluoromethoxy)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 158017544
9-cyclohepta-1,3,6-trien-1-yl-N-(4-methoxyphenyl)-9-phenylfluoren-2-amine
CID 145137904
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 161077645) is 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.COc1ccc(Nc2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.COc1ccc(Nc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.COc1ccc(Nc2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is UFMLSTNKENXMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO.C32H25NO.C22H21NO.C20H27N.C17H21NO/c1-34-23-17-14-21(15-18-23)33-22-16-19-27-26-10-4-7-13-30(26)32(31(27)20-22)28-11-5-2-8-24(28)25-9-3-6-12-29(25)32;1-34-27-19-16-25(17-20-27)33-26-18-21-29-28-14-8-9-15-30(28)32(31(29)22-26,23-10-4-2-5-11-23)24-12-6-3-7-13-24;1-22(2)20-7-5-4-6-18(20)19-13-10-16(14-21(19)22)23-15-8-11-17(24-3)12-9-15;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-17(2,3)13-5-7-14(8-6-13)18-15-9-11-16(19-4)12-10-15/h2-20,33H,1H3;2-22,33H,1H3;4-14,23H,1-3H3;7-14,21H,1-6H3;5-12,18H,1-4H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine?
4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1729.32 g/mol, XLogP of 32.09, 16 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylphenyl)aniline;4-tert-butyl-N-(4-methoxyphenyl)aniline;N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine;N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine;N-(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 161077645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).