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

C34H37N — CID 167249351

IUPAC1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole
SMILESCCc1ccccc1-n1c2ccccc2c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21
InChIInChI=1S/C34H37N/c1-8-23-14-9-11-18-30(23)35-31-19-12-10-15-28(31)29-17-13-16-27(32(29)35)24-20-25(33(2,3)4)22-26(21-24)34(5,6)7/h9-22H,8H2,1-7H3
InChIKeyCFWVICOYDGXSBU-UHFFFAOYSA-N
MW459.68 g/mol
LogP9.61
Rot. Bonds3

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

1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole (PubChem CID 167249351) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole.

Molecular Properties

Compound Name1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole
PubChem CID167249351
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC Name1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole
SMILESCCc1ccccc1-n1c2ccccc2c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21
InChIInChI=1S/C34H37N/c1-8-23-14-9-11-18-30(23)35-31-19-12-10-15-28(31)29-17-13-16-27(32(29)35)24-20-25(33(2,3)4)22-26(21-24)34(5,6)7/h9-22H,8H2,1-7H3
InChIKeyCFWVICOYDGXSBU-UHFFFAOYSA-N
XLogP9.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-ditert-butylphenyl)-9-[3-(3,5-ditert-butylphenyl)-2-ethylphenyl]carbazole
CID 167068863
9-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-1-ethylcarbazole
CID 174115641
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
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
[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
9-[2-(2,2-dimethylpropyl)phenyl]carbazole
CID 154939343
9-[2-(4,6-ditert-butyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 170008009
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
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234844
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole?
The IUPAC name of 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole (CID 167249351) is 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole.
What is the SMILES notation for 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole?
The canonical SMILES for 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole is CCc1ccccc1-n1c2ccccc2c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21.
What is the InChIKey of 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole?
The InChIKey is CFWVICOYDGXSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N/c1-8-23-14-9-11-18-30(23)35-31-19-12-10-15-28(31)29-17-13-16-27(32(29)35)24-20-25(33(2,3)4)22-26(21-24)34(5,6)7/h9-22H,8H2,1-7H3.
What are the key properties of 1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole?
1-(3,5-ditert-butylphenyl)-9-(2-ethylphenyl)carbazole has a molecular weight of 459.68 g/mol, XLogP of 9.61, 3 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-(2-ethylphenyl)carbazole is sourced from PubChem (CID 167249351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).