4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole

C54H30F6N4O — CID 139306916

IUPAC4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C54H30F6N4O/c55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52/h1-30H
InChIKeyKDVMQQXNJPNOOO-UHFFFAOYSA-N
MW864.85 g/mol
LogP14.48
Rot. Bonds4

About 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole

4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole (PubChem CID 139306916) has the molecular formula C54H30F6N4O and a molecular weight of 864.85 g/mol. Its IUPAC name is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole.

Molecular Properties

Compound Name4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
PubChem CID139306916
Molecular FormulaC54H30F6N4O
Molecular Weight864.85 g/mol
Exact Mass864.23
IUPAC Name4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C54H30F6N4O/c55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52/h1-30H
InChIKeyKDVMQQXNJPNOOO-UHFFFAOYSA-N
XLogP14.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.85
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole?
The IUPAC name of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole (CID 139306916) is 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole.
What is the SMILES notation for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole?
The canonical SMILES for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole is FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc4c3c3ccccc3n4-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole?
The InChIKey is KDVMQQXNJPNOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30F6N4O/c55-53(56,57)33-24-20-31(21-25-33)49-61-50(32-22-26-34(27-23-32)54(58,59)60)63-51(62-49)39-12-9-17-45-48(39)38-11-2-6-16-44(38)64(45)35-28-29-37-36-10-1-3-13-40(36)52(43(37)30-35)41-14-4-7-18-46(41)65-47-19-8-5-15-42(47)52/h1-30H.
What are the key properties of 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole?
4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole has a molecular weight of 864.85 g/mol, XLogP of 14.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-9-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole is sourced from PubChem (CID 139306916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).