3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole

C27H37NO2 — CID 175403765

IUPAC3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(C4OC(C)(C)C(C)(C)O4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C27H37NO2/c1-24(2,3)16-11-12-21-18(13-16)19-14-17(25(4,5)6)15-20(22(19)28-21)23-29-26(7,8)27(9,10)30-23/h11-15,23,28H,1-10H3
InChIKeyAPSUSQYZKMEKIG-UHFFFAOYSA-N
MW407.60 g/mol
LogP7.52
Rot. Bonds1

About 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole

3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole (PubChem CID 175403765) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole
PubChem CID175403765
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole
SMILESCC(C)(C)c1ccc2[nH]c3c(C4OC(C)(C)C(C)(C)O4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C27H37NO2/c1-24(2,3)16-11-12-21-18(13-16)19-14-17(25(4,5)6)15-20(22(19)28-21)23-29-26(7,8)27(9,10)30-23/h11-15,23,28H,1-10H3
InChIKeyAPSUSQYZKMEKIG-UHFFFAOYSA-N
XLogP7.52
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole?
The IUPAC name of 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole (CID 175403765) is 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole.
What is the SMILES notation for 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole?
The canonical SMILES for 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole is CC(C)(C)c1ccc2[nH]c3c(C4OC(C)(C)C(C)(C)O4)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole?
The InChIKey is APSUSQYZKMEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c1-24(2,3)16-11-12-21-18(13-16)19-14-17(25(4,5)6)15-20(22(19)28-21)23-29-26(7,8)27(9,10)30-23/h11-15,23,28H,1-10H3.
What are the key properties of 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole?
3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole has a molecular weight of 407.60 g/mol, XLogP of 7.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)-9H-carbazole is sourced from PubChem (CID 175403765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).