10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine

C60H52F2N4O2 — CID 157250457

About 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine

10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine (PubChem CID 157250457) has the molecular formula C60H52F2N4O2 and a molecular weight of 899.10 g/mol. Its IUPAC name is 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine.

Molecular Properties

• Compound Name: 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine
• PubChem CID: 157250457
• Molecular Formula: C60H52F2N4O2
• Molecular Weight: 899.10 g/mol
• Exact Mass: 898.41
• IUPAC Name: 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine
• SMILES: Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(C)cc4Oc4cc(C)ccc43)ccc1n2-c1ccc(C2CN(c3c(C)c(C)cc(C(C)(F)F)c3C)C2)cc1
• InChI: InChI=1S/C60H52F2N4O2/c1-34-9-19-51-55(25-34)67-56-26-35(2)10-20-52(56)65(51)44-17-23-49-46(30-44)47-31-45(66-53-21-11-36(3)27-57(53)68-58-28-37(4)12-22-54(58)66)18-24-50(47)64(49)43-15-13-41(14-16-43)42-32-63(33-42)59-39(6)38(5)29-48(40(59)7)60(8,61)62/h9-31,42H,32-33H2,1-8H3
• InChIKey: AWGWDTLWDYQTFS-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 33.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.10
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine?

The IUPAC name of 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine (CID 157250457) is 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine.

What is the SMILES notation for 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine?

The canonical SMILES for 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine is Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc2c(c1)c1cc(N3c4ccc(C)cc4Oc4cc(C)ccc43)ccc1n2-c1ccc(C2CN(c3c(C)c(C)cc(C(C)(F)F)c3C)C2)cc1.

What is the InChIKey of 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine?

The InChIKey is AWGWDTLWDYQTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52F2N4O2/c1-34-9-19-51-55(25-34)67-56-26-35(2)10-20-52(56)65(51)44-17-23-49-46(30-44)47-31-45(66-53-21-11-36(3)27-57(53)68-58-28-37(4)12-22-54(58)66)18-24-50(47)64(49)43-15-13-41(14-16-43)42-32-63(33-42)59-39(6)38(5)29-48(40(59)7)60(8,61)62/h9-31,42H,32-33H2,1-8H3.

What are the key properties of 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine?

10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine has a molecular weight of 899.10 g/mol, XLogP of 16.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-[4-[1-[3-(1,1-difluoroethyl)-2,5,6-trimethylphenyl]azetidin-3-yl]phenyl]-6-(3,7-dimethylphenoxazin-10-yl)carbazol-3-yl]-3,7-dimethylphenoxazine is sourced from PubChem (CID 157250457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).