butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane

C43H53F3N4 — CID 145333355

IUPACbutane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane
SMILESCCC(C)(C)c1cc2c(cc1-c1nc(C)nn1-c1c(C(C)C)cccc1C(C)C)c1cc(F)ccc1n2-c1ccc(F)cc1.CCCC.CF
InChIInChI=1S/C38H40F2N4.C4H10.CH3F/c1-9-38(7,8)33-21-35-31(30-19-26(40)15-18-34(30)43(35)27-16-13-25(39)14-17-27)20-32(33)37-41-24(6)42-44(37)36-28(22(2)3)11-10-12-29(36)23(4)5;1-3-4-2;1-2/h10-23H,9H2,1-8H3;3-4H2,1-2H3;1H3
InChIKeyCZFQGWRYOUBMQD-UHFFFAOYSA-N
MW682.92 g/mol
LogP12.94
Rot. Bonds8

About butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane

butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane (PubChem CID 145333355) has the molecular formula C43H53F3N4 and a molecular weight of 682.92 g/mol. Its IUPAC name is butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane.

Molecular Properties

Compound Namebutane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane
PubChem CID145333355
Molecular FormulaC43H53F3N4
Molecular Weight682.92 g/mol
Exact Mass682.42
IUPAC Namebutane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane
SMILESCCC(C)(C)c1cc2c(cc1-c1nc(C)nn1-c1c(C(C)C)cccc1C(C)C)c1cc(F)ccc1n2-c1ccc(F)cc1.CCCC.CF
InChIInChI=1S/C38H40F2N4.C4H10.CH3F/c1-9-38(7,8)33-21-35-31(30-19-26(40)15-18-34(30)43(35)27-16-13-25(39)14-17-27)20-32(33)37-41-24(6)42-44(37)36-28(22(2)3)11-10-12-29(36)23(4)5;1-3-4-2;1-2/h10-23H,9H2,1-8H3;3-4H2,1-2H3;1H3
InChIKeyCZFQGWRYOUBMQD-UHFFFAOYSA-N
XLogP12.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.92
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)carbazole;ethane
CID 145333364
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-5-[2-(2-methylbutan-2-yl)-9H-fluoren-3-yl]-1,2,4-triazole
CID 145333453
9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
CID 154631744
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185
9-[4-(2-butyloctoxy)phenyl]-3,6-difluorocarbazole
CID 102281660
1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)-3-methylbenzimidazol-3-ium
CID 169026337
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
9-(4-fluorophenyl)carbazole-3,6-diamine
CID 89271957
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole;ethane
CID 142805188
1-[2-[3-(3,6-difluorocarbazol-9-yl)phenyl]ethyl]piperidin-4-ol
CID 90279945

Frequently Asked Questions

What is the IUPAC name of butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane?
The IUPAC name of butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane (CID 145333355) is butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane.
What is the SMILES notation for butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane?
The canonical SMILES for butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane is CCC(C)(C)c1cc2c(cc1-c1nc(C)nn1-c1c(C(C)C)cccc1C(C)C)c1cc(F)ccc1n2-c1ccc(F)cc1.CCCC.CF.
What is the InChIKey of butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane?
The InChIKey is CZFQGWRYOUBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40F2N4.C4H10.CH3F/c1-9-38(7,8)33-21-35-31(30-19-26(40)15-18-34(30)43(35)27-16-13-25(39)14-17-27)20-32(33)37-41-24(6)42-44(37)36-28(22(2)3)11-10-12-29(36)23(4)5;1-3-4-2;1-2/h10-23H,9H2,1-8H3;3-4H2,1-2H3;1H3.
What are the key properties of butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane?
butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane has a molecular weight of 682.92 g/mol, XLogP of 12.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)-2-(2-methylbutan-2-yl)carbazole;fluoromethane is sourced from PubChem (CID 145333355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).