3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole

C36H22F2N2 — CID 23534181

IUPAC3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
SMILESFc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)cc1
InChIInChI=1S/C36H22F2N2/c37-25-13-19-35-31(21-25)29-5-1-3-7-33(29)39(35)27-15-9-23(10-16-27)24-11-17-28(18-12-24)40-34-8-4-2-6-30(34)32-22-26(38)14-20-36(32)40/h1-22H
InChIKeyRSRPDCLMWBJRPK-UHFFFAOYSA-N
MW520.58 g/mol
LogP9.83
Rot. Bonds3

About 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole

3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 23534181) has the molecular formula C36H22F2N2 and a molecular weight of 520.58 g/mol. Its IUPAC name is 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID23534181
Molecular FormulaC36H22F2N2
Molecular Weight520.58 g/mol
Exact Mass520.18
IUPAC Name3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
SMILESFc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)cc1
InChIInChI=1S/C36H22F2N2/c37-25-13-19-35-31(21-25)29-5-1-3-7-33(29)39(35)27-15-9-23(10-16-27)24-11-17-28(18-12-24)40-34-8-4-2-6-30(34)32-22-26(38)14-20-36(32)40/h1-22H
InChIKeyRSRPDCLMWBJRPK-UHFFFAOYSA-N
XLogP9.83
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole (CID 23534181) is 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole is Fc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)cc1.
What is the InChIKey of 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is RSRPDCLMWBJRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F2N2/c37-25-13-19-35-31(21-25)29-5-1-3-7-33(29)39(35)27-15-9-23(10-16-27)24-11-17-28(18-12-24)40-34-8-4-2-6-30(34)32-22-26(38)14-20-36(32)40/h1-22H.
What are the key properties of 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole?
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 520.58 g/mol, XLogP of 9.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 23534181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).