9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole

C37H25F2NO — CID 59629481

IUPAC9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole
SMILESCc1c(F)cc(-c2ccc(-c3ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1F
InChIInChI=1S/C37H25F2NO/c1-24-34(38)22-28(23-35(24)39)27-12-10-25(11-13-27)26-14-18-30(19-15-26)41-31-20-16-29(17-21-31)40-36-8-4-2-6-32(36)33-7-3-5-9-37(33)40/h2-23H,1H3
InChIKeyCJKRYIJNLOWWFS-UHFFFAOYSA-N
MW537.61 g/mol
LogP10.50
Rot. Bonds5

About 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole

9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole (PubChem CID 59629481) has the molecular formula C37H25F2NO and a molecular weight of 537.61 g/mol. Its IUPAC name is 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole
PubChem CID59629481
Molecular FormulaC37H25F2NO
Molecular Weight537.61 g/mol
Exact Mass537.19
IUPAC Name9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole
SMILESCc1c(F)cc(-c2ccc(-c3ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1F
InChIInChI=1S/C37H25F2NO/c1-24-34(38)22-28(23-35(24)39)27-12-10-25(11-13-27)26-14-18-30(19-15-26)41-31-20-16-29(17-21-31)40-36-8-4-2-6-32(36)33-7-3-5-9-37(33)40/h2-23H,1H3
InChIKeyCJKRYIJNLOWWFS-UHFFFAOYSA-N
XLogP10.50
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.61
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole (CID 59629481) is 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole is Cc1c(F)cc(-c2ccc(-c3ccc(Oc4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1F.
What is the InChIKey of 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole?
The InChIKey is CJKRYIJNLOWWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25F2NO/c1-24-34(38)22-28(23-35(24)39)27-12-10-25(11-13-27)26-14-18-30(19-15-26)41-31-20-16-29(17-21-31)40-36-8-4-2-6-32(36)33-7-3-5-9-37(33)40/h2-23H,1H3.
What are the key properties of 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole?
9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole has a molecular weight of 537.61 g/mol, XLogP of 10.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenoxy]phenyl]carbazole is sourced from PubChem (CID 59629481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).