2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole

C33H22F3N5 — CID 129190374

IUPAC2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
SMILESFC(F)(F)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C5C=CC(n6cccn6)=CC54)cc32)c1
InChIInChI=1S/C33H22F3N5/c34-33(35,36)21-14-16-37-32(18-21)41-29-9-4-2-7-25(29)27-13-11-23(20-31(27)41)40-28-8-3-1-6-24(28)26-12-10-22(19-30(26)40)39-17-5-15-38-39/h1-20,26,30H
InChIKeyWOAAEQHAGDTYAI-UHFFFAOYSA-N
MW545.57 g/mol
LogP8.11
Rot. Bonds3

About 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole

2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole (PubChem CID 129190374) has the molecular formula C33H22F3N5 and a molecular weight of 545.57 g/mol. Its IUPAC name is 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
PubChem CID129190374
Molecular FormulaC33H22F3N5
Molecular Weight545.57 g/mol
Exact Mass545.18
IUPAC Name2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole
SMILESFC(F)(F)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C5C=CC(n6cccn6)=CC54)cc32)c1
InChIInChI=1S/C33H22F3N5/c34-33(35,36)21-14-16-37-32(18-21)41-29-9-4-2-7-25(29)27-13-11-23(20-31(27)41)40-28-8-3-1-6-24(28)26-12-10-22(19-30(26)40)39-17-5-15-38-39/h1-20,26,30H
InChIKeyWOAAEQHAGDTYAI-UHFFFAOYSA-N
XLogP8.11
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.57
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole (CID 129190374) is 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole is FC(F)(F)c1ccnc(-n2c3ccccc3c3ccc(N4c5ccccc5C5C=CC(n6cccn6)=CC54)cc32)c1.
What is the InChIKey of 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
The InChIKey is WOAAEQHAGDTYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F3N5/c34-33(35,36)21-14-16-37-32(18-21)41-29-9-4-2-7-25(29)27-13-11-23(20-31(27)41)40-28-8-3-1-6-24(28)26-12-10-22(19-30(26)40)39-17-5-15-38-39/h1-20,26,30H.
What are the key properties of 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole?
2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole has a molecular weight of 545.57 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-yl-4a,9a-dihydrocarbazol-9-yl)-9-[4-(trifluoromethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 129190374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).