10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine

C39H35N5 — CID 118539195

IUPAC10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C(C)(C)c5ccc(-n6cccn6)cc54)cc32)c1
InChIInChI=1S/C39H35N5/c1-38(2,3)26-19-21-40-37(23-26)44-33-13-8-6-11-29(33)30-17-15-28(25-35(30)44)43-34-14-9-7-12-31(34)39(4,5)32-18-16-27(24-36(32)43)42-22-10-20-41-42/h6-25H,1-5H3
InChIKeyXLHCFQYRWUEQBM-UHFFFAOYSA-N
MW573.74 g/mol
LogP9.77
Rot. Bonds3

About 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine

10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine (PubChem CID 118539195) has the molecular formula C39H35N5 and a molecular weight of 573.74 g/mol. Its IUPAC name is 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine.

Molecular Properties

Compound Name10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine
PubChem CID118539195
Molecular FormulaC39H35N5
Molecular Weight573.74 g/mol
Exact Mass573.29
IUPAC Name10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C(C)(C)c5ccc(-n6cccn6)cc54)cc32)c1
InChIInChI=1S/C39H35N5/c1-38(2,3)26-19-21-40-37(23-26)44-33-13-8-6-11-29(33)30-17-15-28(25-35(30)44)43-34-14-9-7-12-31(34)39(4,5)32-18-16-27(24-36(32)43)42-22-10-20-41-42/h6-25H,1-5H3
InChIKeyXLHCFQYRWUEQBM-UHFFFAOYSA-N
XLogP9.77
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine?
The IUPAC name of 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine (CID 118539195) is 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine.
What is the SMILES notation for 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine?
The canonical SMILES for 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C(C)(C)c5ccc(-n6cccn6)cc54)cc32)c1.
What is the InChIKey of 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine?
The InChIKey is XLHCFQYRWUEQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N5/c1-38(2,3)26-19-21-40-37(23-26)44-33-13-8-6-11-29(33)30-17-15-28(25-35(30)44)43-34-14-9-7-12-31(34)39(4,5)32-18-16-27(24-36(32)43)42-22-10-20-41-42/h6-25H,1-5H3.
What are the key properties of 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine?
10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine has a molecular weight of 573.74 g/mol, XLogP of 9.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-9,9-dimethyl-3-pyrazol-1-ylacridine is sourced from PubChem (CID 118539195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).