4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine

C138H84N12O7S2 — CID 159303566

IUPAC4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7O8)nc6c5n4)cc32)cc1.c1ccc(N2c3ccccc3Oc3cccc(-c4ccc5oc6ccc(-c7cccc8c7N(c7ccccc7)c7ccccc7O8)nc6c5n4)c32)cc1.c1ccc(N2c3ccccc3Sc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7S8)nc6c5n4)cc32)cc1
InChIInChI=1S/2C46H28N4O3.C46H28N4OS2/c1-3-13-29(14-4-1)49-35-19-7-9-21-37(35)51-41-23-11-17-31(45(41)49)33-25-27-39-43(47-33)44-40(53-39)28-26-34(48-44)32-18-12-24-42-46(32)50(30-15-5-2-6-16-30)36-20-8-10-22-38(36)52-42;1-3-11-31(12-4-1)49-35-15-7-9-17-39(35)51-41-23-19-29(27-37(41)49)33-21-25-43-45(47-33)46-44(53-43)26-22-34(48-46)30-20-24-42-38(28-30)50(32-13-5-2-6-14-32)36-16-8-10-18-40(36)52-42;1-3-11-31(12-4-1)49-35-15-7-9-17-41(35)52-43-25-19-29(27-37(43)49)33-21-23-39-45(47-33)46-40(51-39)24-22-34(48-46)30-20-26-44-38(28-30)50(32-13-5-2-6-14-32)36-16-8-10-18-42(36)53-44/h3*1-28H
InChIKeyLBQAJKAJZWSKOO-UHFFFAOYSA-N
MW2086.40 g/mol
LogP39.30
Rot. Bonds12

About 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine

4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine (PubChem CID 159303566) has the molecular formula C138H84N12O7S2 and a molecular weight of 2086.40 g/mol. Its IUPAC name is 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine.

Molecular Properties

Compound Name4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine
PubChem CID159303566
Molecular FormulaC138H84N12O7S2
Molecular Weight2086.40 g/mol
Exact Mass2084.60
IUPAC Name4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7O8)nc6c5n4)cc32)cc1.c1ccc(N2c3ccccc3Oc3cccc(-c4ccc5oc6ccc(-c7cccc8c7N(c7ccccc7)c7ccccc7O8)nc6c5n4)c32)cc1.c1ccc(N2c3ccccc3Sc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7S8)nc6c5n4)cc32)cc1
InChIInChI=1S/2C46H28N4O3.C46H28N4OS2/c1-3-13-29(14-4-1)49-35-19-7-9-21-37(35)51-41-23-11-17-31(45(41)49)33-25-27-39-43(47-33)44-40(53-39)28-26-34(48-44)32-18-12-24-42-46(32)50(30-15-5-2-6-16-30)36-20-8-10-22-38(36)52-42;1-3-11-31(12-4-1)49-35-15-7-9-17-39(35)51-41-23-19-29(27-37(41)49)33-21-25-43-45(47-33)46-44(53-43)26-22-34(48-46)30-20-24-42-38(28-30)50(32-13-5-2-6-14-32)36-16-8-10-18-40(36)52-42;1-3-11-31(12-4-1)49-35-15-7-9-17-41(35)52-43-25-19-29(27-37(43)49)33-21-23-39-45(47-33)46-40(51-39)24-22-34(48-46)30-20-26-44-38(28-30)50(32-13-5-2-6-14-32)36-16-8-10-18-42(36)53-44/h3*1-28H
InChIKeyLBQAJKAJZWSKOO-UHFFFAOYSA-N
XLogP39.30
TPSA173.12 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.40
LogP ≤ 539.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine with MolForge

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Related Compounds

3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
CID 118517036
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
2-(8-phenoxazin-10-yl-10-phenylphenothiazin-3-yl)xanthen-9-one
CID 142288504
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 90194649
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663
10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 140731455
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619

Frequently Asked Questions

What is the IUPAC name of 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine?
The IUPAC name of 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine (CID 159303566) is 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine.
What is the SMILES notation for 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine?
The canonical SMILES for 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine is c1ccc(N2c3ccccc3Oc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7O8)nc6c5n4)cc32)cc1.c1ccc(N2c3ccccc3Oc3cccc(-c4ccc5oc6ccc(-c7cccc8c7N(c7ccccc7)c7ccccc7O8)nc6c5n4)c32)cc1.c1ccc(N2c3ccccc3Sc3ccc(-c4ccc5oc6ccc(-c7ccc8c(c7)N(c7ccccc7)c7ccccc7S8)nc6c5n4)cc32)cc1.
What is the InChIKey of 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine?
The InChIKey is LBQAJKAJZWSKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N4O3.C46H28N4OS2/c1-3-13-29(14-4-1)49-35-19-7-9-21-37(35)51-41-23-11-17-31(45(41)49)33-25-27-39-43(47-33)44-40(53-39)28-26-34(48-44)32-18-12-24-42-46(32)50(30-15-5-2-6-16-30)36-20-8-10-22-38(36)52-42;1-3-11-31(12-4-1)49-35-15-7-9-17-39(35)51-41-23-19-29(27-37(41)49)33-21-25-43-45(47-33)46-44(53-43)26-22-34(48-46)30-20-24-42-38(28-30)50(32-13-5-2-6-14-32)36-16-8-10-18-40(36)52-42;1-3-11-31(12-4-1)49-35-15-7-9-17-41(35)52-43-25-19-29(27-37(43)49)33-21-23-39-45(47-33)46-40(51-39)24-22-34(48-46)30-20-26-44-38(28-30)50(32-13-5-2-6-14-32)36-16-8-10-18-42(36)53-44/h3*1-28H.
What are the key properties of 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine?
4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine has a molecular weight of 2086.40 g/mol, XLogP of 39.30, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-bis(10-phenylphenothiazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10-phenyl-1-[12-(10-phenylphenoxazin-1-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine;10-phenyl-2-[12-(10-phenylphenoxazin-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenoxazine is sourced from PubChem (CID 159303566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).