10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine

C243H165N9O3S6 — CID 157076974

IUPAC10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1-2.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)c5ccccc45)ccc32)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S.C47H36N2S.C42H27NOS.C40H26N2S.C32H23NOS.C30H19NOS/c1-4-14-35(15-5-1)37-24-29-49-51(33-37)55-52-34-38(36-16-6-2-7-17-36)25-30-50(52)54(49)47-31-27-41(42-20-10-11-21-43(42)47)39-26-28-48-45(32-39)44-22-12-13-23-46(44)53(48)40-18-8-3-9-19-40;1-29-14-21-43-45(24-29)50-46-25-30(2)15-22-44(46)49(43)34-18-20-36-35-19-16-32(27-39(35)47(3,4)40(36)28-34)31-17-23-42-38(26-31)37-12-8-9-13-41(37)48(42)33-10-6-5-7-11-33;1-3-9-28(10-4-1)32-17-22-37-41(26-32)45-42-27-33(29-11-5-2-6-12-29)18-23-38(42)43(37)34-20-15-30(16-21-34)31-19-24-40-36(25-31)35-13-7-8-14-39(35)44-40;1-2-12-28(13-3-1)41-34-17-7-6-16-32(34)33-26-27(22-24-36(33)41)29-23-25-35(31-15-5-4-14-30(29)31)42-37-18-8-10-20-39(37)43-40-21-11-9-19-38(40)42;1-20-7-14-27-31(17-20)35-32-18-21(2)8-15-28(32)33(27)24-12-9-22(10-13-24)23-11-16-30-26(19-23)25-5-3-4-6-29(25)34-30;1-4-10-27-23(7-1)24-19-21(15-18-28(24)32-27)20-13-16-22(17-14-20)31-25-8-2-5-11-29(25)33-30-12-6-3-9-26(30)31/h1-34H;5-28H,1-4H3;1-27H;1-26H;3-19H,1-2H3;1-19H
InChIKeyADBVBPRNFRUMPH-UHFFFAOYSA-N
MW3451.45 g/mol
LogP71.23
Rot. Bonds19

About 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine

10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine (PubChem CID 157076974) has the molecular formula C243H165N9O3S6 and a molecular weight of 3451.45 g/mol. Its IUPAC name is 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine.

Molecular Properties

Compound Name10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine
PubChem CID157076974
Molecular FormulaC243H165N9O3S6
Molecular Weight3451.45 g/mol
Exact Mass3448.14
IUPAC Name10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1-2.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)c5ccccc45)ccc32)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C52H34N2S.C47H36N2S.C42H27NOS.C40H26N2S.C32H23NOS.C30H19NOS/c1-4-14-35(15-5-1)37-24-29-49-51(33-37)55-52-34-38(36-16-6-2-7-17-36)25-30-50(52)54(49)47-31-27-41(42-20-10-11-21-43(42)47)39-26-28-48-45(32-39)44-22-12-13-23-46(44)53(48)40-18-8-3-9-19-40;1-29-14-21-43-45(24-29)50-46-25-30(2)15-22-44(46)49(43)34-18-20-36-35-19-16-32(27-39(35)47(3,4)40(36)28-34)31-17-23-42-38(26-31)37-12-8-9-13-41(37)48(42)33-10-6-5-7-11-33;1-3-9-28(10-4-1)32-17-22-37-41(26-32)45-42-27-33(29-11-5-2-6-12-29)18-23-38(42)43(37)34-20-15-30(16-21-34)31-19-24-40-36(25-31)35-13-7-8-14-39(35)44-40;1-2-12-28(13-3-1)41-34-17-7-6-16-32(34)33-26-27(22-24-36(33)41)29-23-25-35(31-15-5-4-14-30(29)31)42-37-18-8-10-20-39(37)43-40-21-11-9-19-38(40)42;1-20-7-14-27-31(17-20)35-32-18-21(2)8-15-28(32)33(27)24-12-9-22(10-13-24)23-11-16-30-26(19-23)25-5-3-4-6-29(25)34-30;1-4-10-27-23(7-1)24-19-21(15-18-28(24)32-27)20-13-16-22(17-14-20)31-25-8-2-5-11-29(25)33-30-12-6-3-9-26(30)31/h1-34H;5-28H,1-4H3;1-27H;1-26H;3-19H,1-2H3;1-19H
InChIKeyADBVBPRNFRUMPH-UHFFFAOYSA-N
XLogP71.23
TPSA73.65 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003451.45
LogP ≤ 571.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine?
The IUPAC name of 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine (CID 157076974) is 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine.
What is the SMILES notation for 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine?
The canonical SMILES for 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine is Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1-2.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6Sc6ccccc65)c5ccccc45)ccc32)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine?
The InChIKey is ADBVBPRNFRUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2S.C47H36N2S.C42H27NOS.C40H26N2S.C32H23NOS.C30H19NOS/c1-4-14-35(15-5-1)37-24-29-49-51(33-37)55-52-34-38(36-16-6-2-7-17-36)25-30-50(52)54(49)47-31-27-41(42-20-10-11-21-43(42)47)39-26-28-48-45(32-39)44-22-12-13-23-46(44)53(48)40-18-8-3-9-19-40;1-29-14-21-43-45(24-29)50-46-25-30(2)15-22-44(46)49(43)34-18-20-36-35-19-16-32(27-39(35)47(3,4)40(36)28-34)31-17-23-42-38(26-31)37-12-8-9-13-41(37)48(42)33-10-6-5-7-11-33;1-3-9-28(10-4-1)32-17-22-37-41(26-32)45-42-27-33(29-11-5-2-6-12-29)18-23-38(42)43(37)34-20-15-30(16-21-34)31-19-24-40-36(25-31)35-13-7-8-14-39(35)44-40;1-2-12-28(13-3-1)41-34-17-7-6-16-32(34)33-26-27(22-24-36(33)41)29-23-25-35(31-15-5-4-14-30(29)31)42-37-18-8-10-20-39(37)43-40-21-11-9-19-38(40)42;1-20-7-14-27-31(17-20)35-32-18-21(2)8-15-28(32)33(27)24-12-9-22(10-13-24)23-11-16-30-26(19-23)25-5-3-4-6-29(25)34-30;1-4-10-27-23(7-1)24-19-21(15-18-28(24)32-27)20-13-16-22(17-14-20)31-25-8-2-5-11-29(25)33-30-12-6-3-9-26(30)31/h1-34H;5-28H,1-4H3;1-27H;1-26H;3-19H,1-2H3;1-19H.
What are the key properties of 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine?
10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine has a molecular weight of 3451.45 g/mol, XLogP of 71.23, 19 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzofuran-2-ylphenyl)-3,7-dimethylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)-3,7-diphenylphenothiazine;10-(4-dibenzofuran-2-ylphenyl)phenothiazine;10-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-3,7-dimethylphenothiazine;3,7-diphenyl-10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine;10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenothiazine is sourced from PubChem (CID 157076974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).