6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

C36H35N3O — CID 153421247

IUPAC6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1
InChIInChI=1S/C36H35N3O/c1-35(2,3)26-14-17-31-30(22-26)29-16-13-25(24-10-9-11-28(20-24)40-34-12-7-8-19-37-34)21-32(29)39(31)33-18-15-27(23-38-33)36(4,5)6/h7-23H,1-6H3
InChIKeyLNDBSVNOWZJUJW-UHFFFAOYSA-N
MW525.70 g/mol
LogP9.63
Rot. Bonds4

About 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole

6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (PubChem CID 153421247) has the molecular formula C36H35N3O and a molecular weight of 525.70 g/mol. Its IUPAC name is 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.

Molecular Properties

Compound Name6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
PubChem CID153421247
Molecular FormulaC36H35N3O
Molecular Weight525.70 g/mol
Exact Mass525.28
IUPAC Name6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1
InChIInChI=1S/C36H35N3O/c1-35(2,3)26-14-17-31-30(22-26)29-16-13-25(24-10-9-11-28(20-24)40-34-12-7-8-19-37-34)21-32(29)39(31)33-18-15-27(23-38-33)36(4,5)6/h7-23H,1-6H3
InChIKeyLNDBSVNOWZJUJW-UHFFFAOYSA-N
XLogP9.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(5-tert-butyl-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421793
9-(3-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421221
9-(4-tert-butyl-2-pyridinyl)-2-(5-pyridin-2-yloxy-3-pyridinyl)carbazole
CID 153421354
6-fluoro-9-(5-fluoro-2-pyridinyl)-2-(3-fluoro-5-pyridin-2-yloxyphenyl)carbazole
CID 153421813
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
2-[3-[(4-methoxy-2-pyridinyl)oxy]phenyl]-9-pyridin-2-ylcarbazole
CID 153421155
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
2-(3-pyridin-2-yloxyphenyl)-9-(1,2,4-triazin-3-yl)carbazole
CID 153421215
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The IUPAC name of 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole (CID 153421247) is 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole.
What is the SMILES notation for 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The canonical SMILES for 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is CC(C)(C)c1ccc(-n2c3ccc(C(C)(C)C)cc3c3ccc(-c4cccc(Oc5ccccn5)c4)cc32)nc1.
What is the InChIKey of 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
The InChIKey is LNDBSVNOWZJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O/c1-35(2,3)26-14-17-31-30(22-26)29-16-13-25(24-10-9-11-28(20-24)40-34-12-7-8-19-37-34)21-32(29)39(31)33-18-15-27(23-38-33)36(4,5)6/h7-23H,1-6H3.
What are the key properties of 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole?
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole has a molecular weight of 525.70 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole is sourced from PubChem (CID 153421247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).