9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole

C41H28F6N2 — CID 58939504

IUPAC9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C41H28F6N2/c1-25-11-21-37-33(23-25)31-7-3-5-9-35(31)48(37)29-17-13-27(14-18-29)39(40(42,43)44,41(45,46)47)28-15-19-30(20-16-28)49-36-10-6-4-8-32(36)34-24-26(2)12-22-38(34)49/h3-24H,1-2H3
InChIKeyQHXUSPSNHPURMV-UHFFFAOYSA-N
MW662.68 g/mol
LogP11.91
Rot. Bonds4

About 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole

9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole (PubChem CID 58939504) has the molecular formula C41H28F6N2 and a molecular weight of 662.68 g/mol. Its IUPAC name is 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole
PubChem CID58939504
Molecular FormulaC41H28F6N2
Molecular Weight662.68 g/mol
Exact Mass662.22
IUPAC Name9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(C(c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C41H28F6N2/c1-25-11-21-37-33(23-25)31-7-3-5-9-35(31)48(37)29-17-13-27(14-18-29)39(40(42,43)44,41(45,46)47)28-15-19-30(20-16-28)49-36-10-6-4-8-32(36)34-24-26(2)12-22-38(34)49/h3-24H,1-2H3
InChIKeyQHXUSPSNHPURMV-UHFFFAOYSA-N
XLogP11.91
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.68
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole 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-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3,6-bis(3,6-dimethylcarbazol-9-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole
CID 162480016
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
[4-(2-methylcarbazol-9-yl)phenyl]-diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]silane
CID 90275936
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
N-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3,6-dimethylcarbazol-9-yl)-N-[4-(3-ethenylcarbazol-9-yl)phenyl]aniline
CID 89368375
2-methyl-9-phenylcarbazole
CID 59552741

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole (CID 58939504) is 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C(c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole?
The InChIKey is QHXUSPSNHPURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28F6N2/c1-25-11-21-37-33(23-25)31-7-3-5-9-35(31)48(37)29-17-13-27(14-18-29)39(40(42,43)44,41(45,46)47)28-15-19-30(20-16-28)49-36-10-6-4-8-32(36)34-24-26(2)12-22-38(34)49/h3-24H,1-2H3.
What are the key properties of 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole?
9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole has a molecular weight of 662.68 g/mol, XLogP of 11.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(3-methylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-3-methylcarbazole is sourced from PubChem (CID 58939504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).