10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine

C165H110N4O4S4 — CID 160540882

IUPAC10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine
SMILESCc1ccc2c(c1)Oc1cc(-c3ccccc3)ccc1N2c1ccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H31NOS.C43H29NOS.C42H27NOS.C32H23NOS/c1-2-8-32(9-3-1)33-14-20-37(21-15-33)39-24-28-44-46(31-39)50-45-12-6-5-11-43(45)49(44)40-26-22-35(23-27-40)34-16-18-36(19-17-34)38-25-29-48-42(30-38)41-10-4-7-13-47(41)51-48;1-28-11-22-38-40(25-28)45-41-27-34(29-7-3-2-4-8-29)18-23-39(41)44(38)35-20-16-31(17-21-35)30-12-14-32(15-13-30)33-19-24-43-37(26-33)36-9-5-6-10-42(36)46-43;1-3-9-28(10-4-1)32-17-22-37-39(26-32)44-40-27-33(29-11-5-2-6-12-29)18-23-38(40)43(37)34-20-15-30(16-21-34)31-19-24-42-36(25-31)35-13-7-8-14-41(35)45-42;1-20-7-14-27-29(17-20)34-30-18-21(2)8-15-28(30)33(27)24-12-9-22(10-13-24)23-11-16-32-26(19-23)25-5-3-4-6-31(25)35-32/h1-31H;2-27H,1H3;1-27H;3-19H,1-2H3
InChIKeyQWTNTVSNQYGEBT-UHFFFAOYSA-N
MW2340.99 g/mol
LogP49.78
Rot. Bonds15

About 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine

10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine (PubChem CID 160540882) has the molecular formula C165H110N4O4S4 and a molecular weight of 2340.99 g/mol. Its IUPAC name is 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine
PubChem CID160540882
Molecular FormulaC165H110N4O4S4
Molecular Weight2340.99 g/mol
Exact Mass2338.74
IUPAC Name10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine
SMILESCc1ccc2c(c1)Oc1cc(-c3ccccc3)ccc1N2c1ccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C48H31NOS.C43H29NOS.C42H27NOS.C32H23NOS/c1-2-8-32(9-3-1)33-14-20-37(21-15-33)39-24-28-44-46(31-39)50-45-12-6-5-11-43(45)49(44)40-26-22-35(23-27-40)34-16-18-36(19-17-34)38-25-29-48-42(30-38)41-10-4-7-13-47(41)51-48;1-28-11-22-38-40(25-28)45-41-27-34(29-7-3-2-4-8-29)18-23-39(41)44(38)35-20-16-31(17-21-35)30-12-14-32(15-13-30)33-19-24-43-37(26-33)36-9-5-6-10-42(36)46-43;1-3-9-28(10-4-1)32-17-22-37-39(26-32)44-40-27-33(29-11-5-2-6-12-29)18-23-38(40)43(37)34-20-15-30(16-21-34)31-19-24-42-36(25-31)35-13-7-8-14-41(35)45-42;1-20-7-14-27-29(17-20)34-30-18-21(2)8-15-28(30)33(27)24-12-9-22(10-13-24)23-11-16-32-26(19-23)25-5-3-4-6-31(25)35-32/h1-31H;2-27H,1H3;1-27H;3-19H,1-2H3
InChIKeyQWTNTVSNQYGEBT-UHFFFAOYSA-N
XLogP49.78
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002340.99
LogP ≤ 549.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine with MolForge

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Related Compounds

10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
10-[4-[4-[2-dibenzothiophen-2-yl-10-(4-phenylphenyl)spiro[acridine-9,4'-cyclohexane]-1'-yl]phenyl]phenyl]phenoxazine
CID 134440418
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
CID 155791078
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
N-[4-[3-(4-dibenzothiophen-2-ylphenyl)phenanthro[9,10-d]imidazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]aniline;4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]-N-[4-(10-phenylphenoxazin-3-yl)phenyl]aniline
CID 159363471
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine?
The IUPAC name of 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine (CID 160540882) is 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine.
What is the SMILES notation for 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine?
The canonical SMILES for 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine is Cc1ccc2c(c1)Oc1cc(-c3ccccc3)ccc1N2c1ccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(-c2ccc(-c3ccc4c(c3)Oc3ccccc3N4c3ccc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine?
The InChIKey is QWTNTVSNQYGEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS.C43H29NOS.C42H27NOS.C32H23NOS/c1-2-8-32(9-3-1)33-14-20-37(21-15-33)39-24-28-44-46(31-39)50-45-12-6-5-11-43(45)49(44)40-26-22-35(23-27-40)34-16-18-36(19-17-34)38-25-29-48-42(30-38)41-10-4-7-13-47(41)51-48;1-28-11-22-38-40(25-28)45-41-27-34(29-7-3-2-4-8-29)18-23-39(41)44(38)35-20-16-31(17-21-35)30-12-14-32(15-13-30)33-19-24-43-37(26-33)36-9-5-6-10-42(36)46-43;1-3-9-28(10-4-1)32-17-22-37-39(26-32)44-40-27-33(29-11-5-2-6-12-29)18-23-38(40)43(37)34-20-15-30(16-21-34)31-19-24-42-36(25-31)35-13-7-8-14-41(35)45-42;1-20-7-14-27-29(17-20)34-30-18-21(2)8-15-28(30)33(27)24-12-9-22(10-13-24)23-11-16-32-26(19-23)25-5-3-4-6-31(25)35-32/h1-31H;2-27H,1H3;1-27H;3-19H,1-2H3.
What are the key properties of 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine?
10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine has a molecular weight of 2340.99 g/mol, XLogP of 49.78, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine is sourced from PubChem (CID 160540882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).