9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole

C41H30F3N3 — CID 2843025

IUPAC9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole
SMILESCn1c2ccccc2c2cc(C(c3ccc4c(c3)c3ccccc3n4C)(c3ccc4c(c3)c3ccccc3n4C)C(F)(F)F)ccc21
InChIInChI=1S/C41H30F3N3/c1-45-34-13-7-4-10-28(34)31-22-25(16-19-37(31)45)40(41(42,43)44,26-17-20-38-32(23-26)29-11-5-8-14-35(29)46(38)2)27-18-21-39-33(24-27)30-12-6-9-15-36(30)47(39)3/h4-24H,1-3H3
InChIKeyCTWHHJNPPPDRKY-UHFFFAOYSA-N
MW621.71 g/mol
LogP10.52
Rot. Bonds3

About 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole

9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole (PubChem CID 2843025) has the molecular formula C41H30F3N3 and a molecular weight of 621.71 g/mol. Its IUPAC name is 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole
PubChem CID2843025
Molecular FormulaC41H30F3N3
Molecular Weight621.71 g/mol
Exact Mass621.24
IUPAC Name9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole
SMILESCn1c2ccccc2c2cc(C(c3ccc4c(c3)c3ccccc3n4C)(c3ccc4c(c3)c3ccccc3n4C)C(F)(F)F)ccc21
InChIInChI=1S/C41H30F3N3/c1-45-34-13-7-4-10-28(34)31-22-25(16-19-37(31)45)40(41(42,43)44,26-17-20-38-32(23-26)29-11-5-8-14-35(29)46(38)2)27-18-21-39-33(24-27)30-12-6-9-15-36(30)47(39)3/h4-24H,1-3H3
InChIKeyCTWHHJNPPPDRKY-UHFFFAOYSA-N
XLogP10.52
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.71
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole?
The IUPAC name of 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole (CID 2843025) is 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole.
What is the SMILES notation for 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole?
The canonical SMILES for 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole is Cn1c2ccccc2c2cc(C(c3ccc4c(c3)c3ccccc3n4C)(c3ccc4c(c3)c3ccccc3n4C)C(F)(F)F)ccc21.
What is the InChIKey of 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole?
The InChIKey is CTWHHJNPPPDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30F3N3/c1-45-34-13-7-4-10-28(34)31-22-25(16-19-37(31)45)40(41(42,43)44,26-17-20-38-32(23-26)29-11-5-8-14-35(29)46(38)2)27-18-21-39-33(24-27)30-12-6-9-15-36(30)47(39)3/h4-24H,1-3H3.
What are the key properties of 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole?
9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole has a molecular weight of 621.71 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[2,2,2-trifluoro-1,1-bis(9-methylcarbazol-3-yl)ethyl]carbazole is sourced from PubChem (CID 2843025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).