3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole

C44H29F3N6 — CID 70906150

IUPAC3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
SMILESCc1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2nc(C(F)(F)F)cn2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1
InChIInChI=1S/C44H29F3N6/c1-28-26-50(31-20-22-39-35(24-31)33-16-8-10-18-37(33)52(39)29-12-4-2-5-13-29)42(48-28)43-49-41(44(45,46)47)27-51(43)32-21-23-40-36(25-32)34-17-9-11-19-38(34)53(40)30-14-6-3-7-15-30/h2-27H,1H3
InChIKeyAGWBNAWNSHWPFT-UHFFFAOYSA-N
MW698.75 g/mol
LogP11.25
Rot. Bonds5

About 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole

3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole (PubChem CID 70906150) has the molecular formula C44H29F3N6 and a molecular weight of 698.75 g/mol. Its IUPAC name is 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
PubChem CID70906150
Molecular FormulaC44H29F3N6
Molecular Weight698.75 g/mol
Exact Mass698.24
IUPAC Name3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole
SMILESCc1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2nc(C(F)(F)F)cn2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1
InChIInChI=1S/C44H29F3N6/c1-28-26-50(31-20-22-39-35(24-31)33-16-8-10-18-37(33)52(39)29-12-4-2-5-13-29)42(48-28)43-49-41(44(45,46)47)27-51(43)32-21-23-40-36(25-32)34-17-9-11-19-38(34)53(40)30-14-6-3-7-15-30/h2-27H,1H3
InChIKeyAGWBNAWNSHWPFT-UHFFFAOYSA-N
XLogP11.25
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.75
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole (CID 70906150) is 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole is Cc1cn(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(-c2nc(C(F)(F)F)cn2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1.
What is the InChIKey of 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole?
The InChIKey is AGWBNAWNSHWPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29F3N6/c1-28-26-50(31-20-22-39-35(24-31)33-16-8-10-18-37(33)52(39)29-12-4-2-5-13-29)42(48-28)43-49-41(44(45,46)47)27-51(43)32-21-23-40-36(25-32)34-17-9-11-19-38(34)53(40)30-14-6-3-7-15-30/h2-27H,1H3.
What are the key properties of 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole?
3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole has a molecular weight of 698.75 g/mol, XLogP of 11.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-methyl-1-(9-phenylcarbazol-3-yl)imidazol-2-yl]-4-(trifluoromethyl)imidazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 70906150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).