4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline

C74H83N — CID 58389605

IUPAC4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c(C(C)(C)C)c(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c3)cc2)cc1
InChIInChI=1S/C74H83N/c1-68(2,3)50-26-20-46(21-27-50)47-22-32-54(33-23-47)75(55-34-28-51(29-35-55)69(4,5)6)56-44-61(48-24-36-57-59-38-30-52(70(7,8)9)42-65(59)73(16,17)63(57)40-48)67(72(13,14)15)62(45-56)49-25-37-58-60-39-31-53(71(10,11)12)43-66(60)74(18,19)64(58)41-49/h20-45H,1-19H3
InChIKeyVMKKVSDXRKUQIB-UHFFFAOYSA-N
MW986.48 g/mol
LogP21.26
Rot. Bonds6

About 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline

4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline (PubChem CID 58389605) has the molecular formula C74H83N and a molecular weight of 986.48 g/mol. Its IUPAC name is 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
PubChem CID58389605
Molecular FormulaC74H83N
Molecular Weight986.48 g/mol
Exact Mass985.65
IUPAC Name4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c(C(C)(C)C)c(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c3)cc2)cc1
InChIInChI=1S/C74H83N/c1-68(2,3)50-26-20-46(21-27-50)47-22-32-54(33-23-47)75(55-34-28-51(29-35-55)69(4,5)6)56-44-61(48-24-36-57-59-38-30-52(70(7,8)9)42-65(59)73(16,17)63(57)40-48)67(72(13,14)15)62(45-56)49-25-37-58-60-39-31-53(71(10,11)12)43-66(60)74(18,19)64(58)41-49/h20-45H,1-19H3
InChIKeyVMKKVSDXRKUQIB-UHFFFAOYSA-N
XLogP21.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.48
LogP ≤ 521.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389679
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
CID 58389712
N-[3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-4-methylphenyl]-7-tert-butyl-9,9-dimethyl-N-phenylfluoren-2-amine;7-tert-butyl-N-[4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 158494955
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
CID 58389703
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
N-(4-tert-butylphenyl)-N-[4-[7-[4-(4-tert-butyl-N-pyren-1-ylanilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]pyren-1-amine
CID 58905963

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline (CID 58389605) is 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline is CC(C)(C)c1ccc(-c2ccc(N(c3ccc(C(C)(C)C)cc3)c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c(C(C)(C)C)c(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)c3)cc2)cc1.
What is the InChIKey of 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline?
The InChIKey is VMKKVSDXRKUQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H83N/c1-68(2,3)50-26-20-46(21-27-50)47-22-32-54(33-23-47)75(55-34-28-51(29-35-55)69(4,5)6)56-44-61(48-24-36-57-59-38-30-52(70(7,8)9)42-65(59)73(16,17)63(57)40-48)67(72(13,14)15)62(45-56)49-25-37-58-60-39-31-53(71(10,11)12)43-66(60)74(18,19)64(58)41-49/h20-45H,1-19H3.
What are the key properties of 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline?
4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline has a molecular weight of 986.48 g/mol, XLogP of 21.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline is sourced from PubChem (CID 58389605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).