2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole

C31H47N — CID 155180694

IUPAC2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole
SMILESCC(C)C(C)C(C(C)C(C)C)n1c2cc(C(C)(C)C)ccc2c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C31H47N/c1-19(2)21(5)29(22(6)20(3)4)32-27-17-23(30(7,8)9)13-15-25(27)26-16-14-24(18-28(26)32)31(10,11)12/h13-22,29H,1-12H3
InChIKeySORURBMFPOBUAA-UHFFFAOYSA-N
MW433.72 g/mol
LogP9.51
Rot. Bonds5

About 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole

2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole (PubChem CID 155180694) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole.

Molecular Properties

Compound Name2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole
PubChem CID155180694
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC Name2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole
SMILESCC(C)C(C)C(C(C)C(C)C)n1c2cc(C(C)(C)C)ccc2c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C31H47N/c1-19(2)21(5)29(22(6)20(3)4)32-27-17-23(30(7,8)9)13-15-25(27)26-16-14-24(18-28(26)32)31(10,11)12/h13-22,29H,1-12H3
InChIKeySORURBMFPOBUAA-UHFFFAOYSA-N
XLogP9.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole?
The IUPAC name of 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole (CID 155180694) is 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole.
What is the SMILES notation for 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole?
The canonical SMILES for 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole is CC(C)C(C)C(C(C)C(C)C)n1c2cc(C(C)(C)C)ccc2c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole?
The InChIKey is SORURBMFPOBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N/c1-19(2)21(5)29(22(6)20(3)4)32-27-17-23(30(7,8)9)13-15-25(27)26-16-14-24(18-28(26)32)31(10,11)12/h13-22,29H,1-12H3.
What are the key properties of 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole?
2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole has a molecular weight of 433.72 g/mol, XLogP of 9.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-(2,3,5,6-tetramethylheptan-4-yl)carbazole is sourced from PubChem (CID 155180694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).