10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine

C34H22FN3O — CID 145413567

IUPAC10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)c(C)cc1-c1ccc2c3c(ccc(F)c13)-c1nccnc1-2
InChIInChI=1S/C34H22FN3O/c1-19-18-28(38-26-7-3-5-9-29(26)39-30-10-6-4-8-27(30)38)20(2)17-24(19)21-11-12-22-31-23(13-14-25(35)32(21)31)34-33(22)36-15-16-37-34/h3-18H,1-2H3
InChIKeyMUZKAWJDGXXPNU-UHFFFAOYSA-N
MW507.57 g/mol
LogP9.28
Rot. Bonds2

About 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine

10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine (PubChem CID 145413567) has the molecular formula C34H22FN3O and a molecular weight of 507.57 g/mol. Its IUPAC name is 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
PubChem CID145413567
Molecular FormulaC34H22FN3O
Molecular Weight507.57 g/mol
Exact Mass507.17
IUPAC Name10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine
SMILESCc1cc(N2c3ccccc3Oc3ccccc32)c(C)cc1-c1ccc2c3c(ccc(F)c13)-c1nccnc1-2
InChIInChI=1S/C34H22FN3O/c1-19-18-28(38-26-7-3-5-9-29(26)39-30-10-6-4-8-27(30)38)20(2)17-24(19)21-11-12-22-31-23(13-14-25(35)32(21)31)34-33(22)36-15-16-37-34/h3-18H,1-2H3
InChIKeyMUZKAWJDGXXPNU-UHFFFAOYSA-N
XLogP9.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine?
The IUPAC name of 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine (CID 145413567) is 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine.
What is the SMILES notation for 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine?
The canonical SMILES for 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine is Cc1cc(N2c3ccccc3Oc3ccccc32)c(C)cc1-c1ccc2c3c(ccc(F)c13)-c1nccnc1-2.
What is the InChIKey of 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine?
The InChIKey is MUZKAWJDGXXPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22FN3O/c1-19-18-28(38-26-7-3-5-9-29(26)39-30-10-6-4-8-27(30)38)20(2)17-24(19)21-11-12-22-31-23(13-14-25(35)32(21)31)34-33(22)36-15-16-37-34/h3-18H,1-2H3.
What are the key properties of 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine?
10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine has a molecular weight of 507.57 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(6-fluoro-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-4-yl)-2,5-dimethylphenyl]phenoxazine is sourced from PubChem (CID 145413567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).