10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine

C36H22FN3O2 — CID 144840668

IUPAC10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
SMILESFn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C36H22FN3O2/c37-40-27-19-17-23(38-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)38)21-25(27)26-22-24(18-20-28(26)40)39-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)39/h1-22H
InChIKeyKAACRROGMMIDEI-UHFFFAOYSA-N
MW547.59 g/mol
LogP10.68
Rot. Bonds2

About 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine

10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine (PubChem CID 144840668) has the molecular formula C36H22FN3O2 and a molecular weight of 547.59 g/mol. Its IUPAC name is 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine.

Molecular Properties

Compound Name10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
PubChem CID144840668
Molecular FormulaC36H22FN3O2
Molecular Weight547.59 g/mol
Exact Mass547.17
IUPAC Name10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
SMILESFn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc(N3c4ccccc4Oc4ccccc43)ccc21
InChIInChI=1S/C36H22FN3O2/c37-40-27-19-17-23(38-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)38)21-25(27)26-22-24(18-20-28(26)40)39-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)39/h1-22H
InChIKeyKAACRROGMMIDEI-UHFFFAOYSA-N
XLogP10.68
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.59
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methoxy-2-methylquinolin-4-yl)-N,9-dimethylcarbazol-3-amine
CID 151953463
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10475467
N-[2-[3-[2-(acridin-9-ylamino)phenoxy]propoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680000
N-[2-[4-[2-(acridin-9-ylamino)phenoxy]butoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680001
N-[2-[5-[2-(acridin-9-ylamino)phenoxy]pentoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680002
N-[2-[6-[2-(acridin-9-ylamino)phenoxy]hexoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680003
N-[2-[7-[2-(acridin-9-ylamino)phenoxy]heptoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680004
N-[2-[8-[2-(acridin-9-ylamino)phenoxy]octoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680005
N-[2-[9-[2-(acridin-9-ylamino)phenoxy]nonoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680006
N-[2-[10-[2-(acridin-9-ylamino)phenoxy]decoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680007
2-(4-Methoxyphenyl)-4-phenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 56968353
2,4-Diphenyl-3-[4-(4-phenyl-2-quinolyl)phenoxy]quinoline
CID 57398656

Frequently Asked Questions

What is the IUPAC name of 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine?
The IUPAC name of 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine (CID 144840668) is 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine.
What is the SMILES notation for 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine?
The canonical SMILES for 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine is Fn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc(N3c4ccccc4Oc4ccccc43)ccc21.
What is the InChIKey of 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine?
The InChIKey is KAACRROGMMIDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FN3O2/c37-40-27-19-17-23(38-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)38)21-25(27)26-22-24(18-20-28(26)40)39-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)39/h1-22H.
What are the key properties of 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine?
10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine has a molecular weight of 547.59 g/mol, XLogP of 10.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9-fluoro-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine is sourced from PubChem (CID 144840668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).