1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole

C48H57N — CID 167068863

IUPAC1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole
SMILESCCc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cccc1-n1c2ccccc2c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21
InChIInChI=1S/C48H57N/c1-14-37-38(31-25-33(45(2,3)4)29-34(26-31)46(5,6)7)20-18-24-42(37)49-43-23-16-15-19-40(43)41-22-17-21-39(44(41)49)32-27-35(47(8,9)10)30-36(28-32)48(11,12)13/h15-30H,14H2,1-13H3
InChIKeyVCEGZFOSEPERBW-UHFFFAOYSA-N
MW647.99 g/mol
LogP13.87
Rot. Bonds4

About 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole

1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole (PubChem CID 167068863) has the molecular formula C48H57N and a molecular weight of 647.99 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole
PubChem CID167068863
Molecular FormulaC48H57N
Molecular Weight647.99 g/mol
Exact Mass647.45
IUPAC Name1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole
SMILESCCc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cccc1-n1c2ccccc2c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21
InChIInChI=1S/C48H57N/c1-14-37-38(31-25-33(45(2,3)4)29-34(26-31)46(5,6)7)20-18-24-42(37)49-43-23-16-15-19-40(43)41-22-17-21-39(44(41)49)32-27-35(47(8,9)10)30-36(28-32)48(11,12)13/h15-30H,14H2,1-13H3
InChIKeyVCEGZFOSEPERBW-UHFFFAOYSA-N
XLogP13.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.99
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole
CID 167249351
1-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
CID 175352867
4,18-bis[1-(3,5-ditert-butylphenyl)carbazol-9-yl]-8,14-bis[2-(3,5-ditert-butylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 177115259
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole
CID 174115641
[2-[5,17-bis[1-(3,5-ditert-butylphenyl)carbazol-9-yl]-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane
CID 177115113
8,14-bis[2-(2-tert-butylphenyl)phenyl]-4,18-bis[1-(3,5-ditert-butylphenyl)carbazol-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 177115221
8,14-bis[2-(3,5-ditert-butylphenyl)phenyl]-5,17-bis(1-phenylcarbazol-9-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 177115209
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-(2-tert-butyl-3-phenylphenyl)-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,5,6-tetradeuterio-4-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole;methane
CID 159595531
[3-[2-[4,18-bis[1-(3,5-ditert-butylphenyl)carbazol-9-yl]-14-[2-(3-triphenylsilylphenyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]phenyl]-triphenylsilane
CID 177115019
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-[2-tert-butyl-3-(3,5-ditert-butylphenyl)phenyl]-1-phenylcarbazole;9-[2-tert-butyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole;9-(2,3-ditert-butylphenyl)-1-phenylcarbazole
CID 163689607
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 170008009

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole?
The IUPAC name of 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole (CID 167068863) is 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole is CCc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cccc1-n1c2ccccc2c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole?
The InChIKey is VCEGZFOSEPERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57N/c1-14-37-38(31-25-33(45(2,3)4)29-34(26-31)46(5,6)7)20-18-24-42(37)49-43-23-16-15-19-40(43)41-22-17-21-39(44(41)49)32-27-35(47(8,9)10)30-36(28-32)48(11,12)13/h15-30H,14H2,1-13H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole?
1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole has a molecular weight of 647.99 g/mol, XLogP of 13.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole is sourced from PubChem (CID 167068863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).