7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole

C32H18F5NO — CID 118920522

IUPAC7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C32H18F5NO/c1-15-11-16(2)32(21(12-15)26-27(33)29(35)31(37)30(36)28(26)34)38-22-9-5-3-7-17(22)19-13-20-18-8-4-6-10-24(18)39-25(20)14-23(19)38/h3-14H,1-2H3
InChIKeyRIFBPPJHVLPVLB-UHFFFAOYSA-N
MW527.49 g/mol
LogP9.66
Rot. Bonds2

About 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 118920522) has the molecular formula C32H18F5NO and a molecular weight of 527.49 g/mol. Its IUPAC name is 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID118920522
Molecular FormulaC32H18F5NO
Molecular Weight527.49 g/mol
Exact Mass527.13
IUPAC Name7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C32H18F5NO/c1-15-11-16(2)32(21(12-15)26-27(33)29(35)31(37)30(36)28(26)34)38-22-9-5-3-7-17(22)19-13-20-18-8-4-6-10-24(18)39-25(20)14-23(19)38/h3-14H,1-2H3
InChIKeyRIFBPPJHVLPVLB-UHFFFAOYSA-N
XLogP9.66
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.49
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 118920522) is 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole is Cc1cc(C)c(-n2c3ccccc3c3cc4c(cc32)oc2ccccc24)c(-c2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is RIFBPPJHVLPVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F5NO/c1-15-11-16(2)32(21(12-15)26-27(33)29(35)31(37)30(36)28(26)34)38-22-9-5-3-7-17(22)19-13-20-18-8-4-6-10-24(18)39-25(20)14-23(19)38/h3-14H,1-2H3.
What are the key properties of 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 527.49 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,4-dimethyl-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 118920522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).