3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole

C38H20F9N3 — CID 147250014

IUPAC3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccncc2-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C38H20F9N3/c39-36(40,41)21-10-13-32-28(17-21)24-5-1-3-7-30(24)49(32)34-19-23(38(45,46)47)9-12-26(34)27-15-16-48-20-35(27)50-31-8-4-2-6-25(31)29-18-22(37(42,43)44)11-14-33(29)50/h1-20H
InChIKeyCMMUAIMVLVVLJT-UHFFFAOYSA-N
MW689.58 g/mol
LogP12.00
Rot. Bonds3

About 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole

3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole (PubChem CID 147250014) has the molecular formula C38H20F9N3 and a molecular weight of 689.58 g/mol. Its IUPAC name is 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
PubChem CID147250014
Molecular FormulaC38H20F9N3
Molecular Weight689.58 g/mol
Exact Mass689.15
IUPAC Name3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccncc2-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C38H20F9N3/c39-36(40,41)21-10-13-32-28(17-21)24-5-1-3-7-30(24)49(32)34-19-23(38(45,46)47)9-12-26(34)27-15-16-48-20-35(27)50-31-8-4-2-6-25(31)29-18-22(37(42,43)44)11-14-33(29)50/h1-20H
InChIKeyCMMUAIMVLVVLJT-UHFFFAOYSA-N
XLogP12.00
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.58
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole?
The IUPAC name of 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole (CID 147250014) is 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole.
What is the SMILES notation for 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole?
The canonical SMILES for 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole is FC(F)(F)c1ccc(-c2ccncc2-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole?
The InChIKey is CMMUAIMVLVVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20F9N3/c39-36(40,41)21-10-13-32-28(17-21)24-5-1-3-7-30(24)49(32)34-19-23(38(45,46)47)9-12-26(34)27-15-16-48-20-35(27)50-31-8-4-2-6-25(31)29-18-22(37(42,43)44)11-14-33(29)50/h1-20H.
What are the key properties of 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole?
3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole has a molecular weight of 689.58 g/mol, XLogP of 12.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-9-[4-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-pyridinyl]carbazole is sourced from PubChem (CID 147250014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).