4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline

C56H66N2 — CID 169076670

IUPAC4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2Nc2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc1
InChIInChI=1S/C56H66N2/c1-52(2,3)38-23-19-36(20-24-38)45-33-42(56(13,14)15)34-46(37-21-25-39(26-22-37)53(4,5)6)51(45)57-43-17-16-18-44(35-43)58-49-29-27-40(54(7,8)9)31-47(49)48-32-41(55(10,11)12)28-30-50(48)58/h16-35,57H,1-15H3
InChIKeyZDQQQCLNUSNFGP-UHFFFAOYSA-N
MW767.16 g/mol
LogP16.35
Rot. Bonds5

About 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline

4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline (PubChem CID 169076670) has the molecular formula C56H66N2 and a molecular weight of 767.16 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
PubChem CID169076670
Molecular FormulaC56H66N2
Molecular Weight767.16 g/mol
Exact Mass766.52
IUPAC Name4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2Nc2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc1
InChIInChI=1S/C56H66N2/c1-52(2,3)38-23-19-36(20-24-38)45-33-42(56(13,14)15)34-46(37-21-25-39(26-22-37)53(4,5)6)51(45)57-43-17-16-18-44(35-43)58-49-29-27-40(54(7,8)9)31-47(49)48-32-41(55(10,11)12)28-30-50(48)58/h16-35,57H,1-15H3
InChIKeyZDQQQCLNUSNFGP-UHFFFAOYSA-N
XLogP16.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.16
LogP ≤ 516.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,6-ditert-butylcarbazol-9-yl)-N-[4-(4-propylphenyl)phenyl]aniline
CID 118038099
4-tert-butyl-N-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-2,6-bis(3-phenylphenyl)aniline
CID 172518472
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
3,6-ditert-butyl-N-(4-tert-butyl-2,6-diphenylphenyl)carbazol-9-amine
CID 175408177
9-(3-bromophenyl)carbazole;4-tert-butylaniline;N-(4-tert-butylphenyl)-3-carbazol-9-ylaniline
CID 158316400
3,6-ditert-butyl-9-[3-[8-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
CID 67473630
3,6-ditert-butyl-9-[4-[4-(4-carbazol-9-ylphenyl)-2,5-bis(3,5-ditert-butylphenyl)phenyl]phenyl]carbazole
CID 146556924
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
3-tert-butyl-6-deuterio-9-[3-[3-(3,6-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 59399854
3,6-ditert-butyl-9-[3-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3-[3-(3,6-difluorocarbazol-9-yl)phenyl]phenyl]-3,6-difluorocarbazole;9-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 158767431
3,6-ditert-butyl-9-[3-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433856

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline (CID 169076670) is 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline is CC(C)(C)c1ccc(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2Nc2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2)cc1.
What is the InChIKey of 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
The InChIKey is ZDQQQCLNUSNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H66N2/c1-52(2,3)38-23-19-36(20-24-38)45-33-42(56(13,14)15)34-46(37-21-25-39(26-22-37)53(4,5)6)51(45)57-43-17-16-18-44(35-43)58-49-29-27-40(54(7,8)9)31-47(49)48-32-41(55(10,11)12)28-30-50(48)58/h16-35,57H,1-15H3.
What are the key properties of 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline?
4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline has a molecular weight of 767.16 g/mol, XLogP of 16.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis(4-tert-butylphenyl)-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]aniline is sourced from PubChem (CID 169076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).