3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole

C34H45N — CID 155708128

IUPAC3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1-n1c2c(C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C)c21
InChIInChI=1S/C34H45N/c1-20-14-24(32(5,6)7)15-21(2)29(20)35-30-22(3)16-25(33(8,9)10)18-27(30)28-19-26(34(11,12)13)17-23(4)31(28)35/h14-19H,1-13H3
InChIKeyNYTSABFCGSQBNL-UHFFFAOYSA-N
MW467.74 g/mol
LogP9.91
Rot. Bonds1

About 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole

3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole (PubChem CID 155708128) has the molecular formula C34H45N and a molecular weight of 467.74 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole
PubChem CID155708128
Molecular FormulaC34H45N
Molecular Weight467.74 g/mol
Exact Mass467.36
IUPAC Name3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1-n1c2c(C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C)c21
InChIInChI=1S/C34H45N/c1-20-14-24(32(5,6)7)15-21(2)29(20)35-30-22(3)16-25(33(8,9)10)18-27(30)28-19-26(34(11,12)13)17-23(4)31(28)35/h14-19H,1-13H3
InChIKeyNYTSABFCGSQBNL-UHFFFAOYSA-N
XLogP9.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole?
The IUPAC name of 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole (CID 155708128) is 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole is Cc1cc(C(C)(C)C)cc(C)c1-n1c2c(C)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(C)c21.
What is the InChIKey of 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole?
The InChIKey is NYTSABFCGSQBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N/c1-20-14-24(32(5,6)7)15-21(2)29(20)35-30-22(3)16-25(33(8,9)10)18-27(30)28-19-26(34(11,12)13)17-23(4)31(28)35/h14-19H,1-13H3.
What are the key properties of 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole?
3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole has a molecular weight of 467.74 g/mol, XLogP of 9.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(4-tert-butyl-2,6-dimethylphenyl)-1,8-dimethylcarbazole is sourced from PubChem (CID 155708128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).