10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine

C173H114N4S8 — CID 159335106

IUPAC10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5ccccc45)ccc2N3c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3cccc4c3sc3ccccc34)c3ccccc23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12
InChIInChI=1S/C52H33NS2.C46H29NS2.C41H31NS2.C34H21NS2/c1-2-10-34(11-3-1)39-26-30-47-50(32-39)54-51-33-40(43-16-8-13-37-12-4-5-14-42(37)43)27-31-48(51)53(47)41-28-24-36(25-29-41)35-20-22-38(23-21-35)44-17-9-18-46-45-15-6-7-19-49(45)55-52(44)46;1-3-12-30(13-4-1)32-22-25-41-44(28-32)48-45-29-33(31-14-5-2-6-15-31)23-26-42(45)47(41)40-27-24-35(34-16-7-8-17-36(34)40)38-19-11-20-39-37-18-9-10-21-43(37)49-46(38)39;1-24-12-18-35-38(20-24)43-39-21-25(2)13-19-36(39)42(35)27-15-17-30-29-16-14-26(22-33(29)41(3,4)34(30)23-27)28-9-7-10-32-31-8-5-6-11-37(31)44-40(28)32;1-2-11-24-22(10-1)23(26-13-9-14-27-25-12-3-6-17-31(25)37-34(26)27)20-21-28(24)35-29-15-4-7-18-32(29)36-33-19-8-5-16-30(33)35/h1-33H;1-29H;5-23H,1-4H3;1-21H
InChIKeyLFKWGKXZPOINBS-UHFFFAOYSA-N
MW2505.38 g/mol
LogP53.34
Rot. Bonds13

About 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine

10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine (PubChem CID 159335106) has the molecular formula C173H114N4S8 and a molecular weight of 2505.38 g/mol. Its IUPAC name is 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine.

Molecular Properties

Compound Name10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
PubChem CID159335106
Molecular FormulaC173H114N4S8
Molecular Weight2505.38 g/mol
Exact Mass2502.68
IUPAC Name10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine
SMILESCc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5ccccc45)ccc2N3c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3cccc4c3sc3ccccc34)c3ccccc23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12
InChIInChI=1S/C52H33NS2.C46H29NS2.C41H31NS2.C34H21NS2/c1-2-10-34(11-3-1)39-26-30-47-50(32-39)54-51-33-40(43-16-8-13-37-12-4-5-14-42(37)43)27-31-48(51)53(47)41-28-24-36(25-29-41)35-20-22-38(23-21-35)44-17-9-18-46-45-15-6-7-19-49(45)55-52(44)46;1-3-12-30(13-4-1)32-22-25-41-44(28-32)48-45-29-33(31-14-5-2-6-15-31)23-26-42(45)47(41)40-27-24-35(34-16-7-8-17-36(34)40)38-19-11-20-39-37-18-9-10-21-43(37)49-46(38)39;1-24-12-18-35-38(20-24)43-39-21-25(2)13-19-36(39)42(35)27-15-17-30-29-16-14-26(22-33(29)41(3,4)34(30)23-27)28-9-7-10-32-31-8-5-6-11-37(31)44-40(28)32;1-2-11-24-22(10-1)23(26-13-9-14-27-25-12-3-6-17-31(25)37-34(26)27)20-21-28(24)35-29-15-4-7-18-32(29)36-33-19-8-5-16-30(33)35/h1-33H;1-29H;5-23H,1-4H3;1-21H
InChIKeyLFKWGKXZPOINBS-UHFFFAOYSA-N
XLogP53.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.38
LogP ≤ 553.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine?
The IUPAC name of 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine (CID 159335106) is 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine.
What is the SMILES notation for 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine?
The canonical SMILES for 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine is Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccc2c(c1)C(C)(C)c1cc(-c3cccc4c3sc3ccccc34)ccc1-2.c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5ccccc45)ccc2N3c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc3c(c2)Sc2cc(-c4ccccc4)ccc2N3c2ccc(-c3cccc4c3sc3ccccc34)c3ccccc23)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3c2sc2ccccc23)c2ccccc12.
What is the InChIKey of 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine?
The InChIKey is LFKWGKXZPOINBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS2.C46H29NS2.C41H31NS2.C34H21NS2/c1-2-10-34(11-3-1)39-26-30-47-50(32-39)54-51-33-40(43-16-8-13-37-12-4-5-14-42(37)43)27-31-48(51)53(47)41-28-24-36(25-29-41)35-20-22-38(23-21-35)44-17-9-18-46-45-15-6-7-19-49(45)55-52(44)46;1-3-12-30(13-4-1)32-22-25-41-44(28-32)48-45-29-33(31-14-5-2-6-15-31)23-26-42(45)47(41)40-27-24-35(34-16-7-8-17-36(34)40)38-19-11-20-39-37-18-9-10-21-43(37)49-46(38)39;1-24-12-18-35-38(20-24)43-39-21-25(2)13-19-36(39)42(35)27-15-17-30-29-16-14-26(22-33(29)41(3,4)34(30)23-27)28-9-7-10-32-31-8-5-6-11-37(31)44-40(28)32;1-2-11-24-22(10-1)23(26-13-9-14-27-25-12-3-6-17-31(25)37-34(26)27)20-21-28(24)35-29-15-4-7-18-32(29)36-33-19-8-5-16-30(33)35/h1-33H;1-29H;5-23H,1-4H3;1-21H.
What are the key properties of 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine?
10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine has a molecular weight of 2505.38 g/mol, XLogP of 53.34, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-3,7-dimethylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-3,7-diphenylphenothiazine;10-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenothiazine;10-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-3-naphthalen-1-yl-7-phenylphenothiazine is sourced from PubChem (CID 159335106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).