3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine

C219H146N12O2S5 — CID 157266387

IUPAC3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3N4c3ccccc3)cc21.c1ccc(N2c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(N2c3ccccc3Oc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4N5c4ccccc4)ccc32)cc1.c1ccc(N2c3ccccc3Sc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4N5c4ccccc4)ccc32)cc1
InChIInChI=1S/C57H41N3S.2C54H35N3OS.C54H35N3S2/c1-57(2)47-23-13-15-25-51(47)59(43-18-8-4-9-19-43)52-31-27-39(35-48(52)57)41-29-33-54-56(37-41)61-55-36-40(28-32-53(55)60(54)44-20-10-5-11-21-44)38-26-30-50-46(34-38)45-22-12-14-24-49(45)58(50)42-16-6-3-7-17-42;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)38-26-30-49-53(34-38)59-54-35-39(27-31-50(54)57(49)42-18-8-3-9-19-42)37-25-29-48-52(33-37)58-51-23-13-12-22-47(51)56(48)41-16-6-2-7-17-41;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)37-25-29-47-51(33-37)58-52-34-38(26-30-48(52)56(47)41-16-6-2-7-17-41)39-27-31-50-54(35-39)59-53-23-13-12-22-49(53)57(50)42-18-8-3-9-19-42;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)37-25-29-49-53(33-37)59-54-35-39(27-31-50(54)57(49)42-18-8-3-9-19-42)38-26-30-48-52(34-38)58-51-23-13-12-22-47(51)56(48)41-16-6-2-7-17-41/h3-37H,1-2H3;3*1-35H
InChIKeyAYAUOPKRMBWQMP-UHFFFAOYSA-N
MW3137.99 g/mol
LogP63.40
Rot. Bonds20

About 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine

3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine (PubChem CID 157266387) has the molecular formula C219H146N12O2S5 and a molecular weight of 3137.99 g/mol. Its IUPAC name is 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine.

Molecular Properties

Compound Name3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine
PubChem CID157266387
Molecular FormulaC219H146N12O2S5
Molecular Weight3137.99 g/mol
Exact Mass3135.03
IUPAC Name3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3N4c3ccccc3)cc21.c1ccc(N2c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(N2c3ccccc3Oc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4N5c4ccccc4)ccc32)cc1.c1ccc(N2c3ccccc3Sc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4N5c4ccccc4)ccc32)cc1
InChIInChI=1S/C57H41N3S.2C54H35N3OS.C54H35N3S2/c1-57(2)47-23-13-15-25-51(47)59(43-18-8-4-9-19-43)52-31-27-39(35-48(52)57)41-29-33-54-56(37-41)61-55-36-40(28-32-53(55)60(54)44-20-10-5-11-21-44)38-26-30-50-46(34-38)45-22-12-14-24-49(45)58(50)42-16-6-3-7-17-42;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)38-26-30-49-53(34-38)59-54-35-39(27-31-50(54)57(49)42-18-8-3-9-19-42)37-25-29-48-52(33-37)58-51-23-13-12-22-47(51)56(48)41-16-6-2-7-17-41;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)37-25-29-47-51(33-37)58-52-34-38(26-30-48(52)56(47)41-16-6-2-7-17-41)39-27-31-50-54(35-39)59-53-23-13-12-22-49(53)57(50)42-18-8-3-9-19-42;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)37-25-29-49-53(33-37)59-54-35-39(27-31-50(54)57(49)42-18-8-3-9-19-42)38-26-30-48-52(34-38)58-51-23-13-12-22-47(51)56(48)41-16-6-2-7-17-41/h3-37H,1-2H3;3*1-35H
InChIKeyAYAUOPKRMBWQMP-UHFFFAOYSA-N
XLogP63.40
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003137.99
LogP ≤ 563.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine with MolForge

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Related Compounds

3,6-Ditert-butyl-9-[2-phenyl-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]carbazole;bis(9,9-dimethyl-10-[2-methyl-4-(trifluoromethyl)phenyl]acridine);bis(10-[2,6-dimethyl-4-(trifluoromethyl)phenyl]phenoxazine);10-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]phenoxazine;10-[2-methoxy-6-phenyl-4-(trifluoromethyl)phenyl]-9,9-dimethylacridine;10-[2-methoxy-6-thiophen-2-yl-4-(trifluoromethyl)phenyl]-9,9-dimethylacridine;10-[2-methoxy-4-(trifluoromethyl)phenyl]phenoxazine
CID 160844257
10-Phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine
CID 68112353
10-Phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine
CID 68112355
10-Phenyl-3-[9-phenyl-6-(10-phenylphenothiazin-3-yl)carbazol-3-yl]phenoxazine
CID 68112364
10-[4-(7,7-Dimethyl-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),3,8,10,12(19),13(18),14,16-octaen-15-yl)phenyl]phenoxazine
CID 71023391
3,6-Dimethyl-9-(4-methylphenyl)carbazole;3,7-dimethyl-10-(4-methylphenyl)phenothiazine;10-methylphenoxazine;9-(4-methylphenyl)carbazole;10-(4-methylphenyl)phenothiazine;3,7,10-trimethylphenoxazine
CID 91048214
6-N-[4-[7-[3-(7-methyl-10H-phenothiazin-3-yl)carbazol-9-yl]-10H-phenoxazin-3-yl]phenyl]-3-N,3-N,6-N-triphenyl-9H-carbazole-3,6-diamine
CID 123254606
3-[9-[4-[7-Carbazol-9-yl-10-(4-pyridin-4-ylphenyl)phenothiazin-3-yl]phenyl]carbazol-3-yl]-10-(4-pyridin-4-ylphenyl)phenoxazine
CID 130354396
13,25,37-Tri(carbazol-9-yl)-8,20,32-trimethyl-1-sulfanylidene-11,23-dioxa-4,16,28-triaza-1lambda5-phosphadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.05,10.016,42.017,22.027,41.029,34.040,43]tritetraconta-2,5(10),6,8,12,14,17(22),18,20,24,26,29(34),30,32,36,38,40(43),41-octadecaene
CID 134317241
13'-[4-[[10'-(4-Methylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-6-yl]methyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]
CID 134353477
13'-[4-[3-[10'-(4-Naphthalen-1-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-5-yl]naphthalen-1-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]
CID 134353496
5-[3-[3-(13-Thia-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 138612476

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine?
The IUPAC name of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine (CID 157266387) is 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine.
What is the SMILES notation for 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine?
The canonical SMILES for 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)Sc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3N4c3ccccc3)cc21.c1ccc(N2c3ccc(-c4ccc5c(c4)Sc4ccccc4N5c4ccccc4)cc3Oc3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(N2c3ccccc3Oc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4N5c4ccccc4)ccc32)cc1.c1ccc(N2c3ccccc3Sc3cc(-c4ccc5c(c4)Sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4N5c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine?
The InChIKey is AYAUOPKRMBWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3S.2C54H35N3OS.C54H35N3S2/c1-57(2)47-23-13-15-25-51(47)59(43-18-8-4-9-19-43)52-31-27-39(35-48(52)57)41-29-33-54-56(37-41)61-55-36-40(28-32-53(55)60(54)44-20-10-5-11-21-44)38-26-30-50-46(34-38)45-22-12-14-24-49(45)58(50)42-16-6-3-7-17-42;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)38-26-30-49-53(34-38)59-54-35-39(27-31-50(54)57(49)42-18-8-3-9-19-42)37-25-29-48-52(33-37)58-51-23-13-12-22-47(51)56(48)41-16-6-2-7-17-41;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)37-25-29-47-51(33-37)58-52-34-38(26-30-48(52)56(47)41-16-6-2-7-17-41)39-27-31-50-54(35-39)59-53-23-13-12-22-49(53)57(50)42-18-8-3-9-19-42;1-4-14-40(15-5-1)55-45-21-11-10-20-43(45)44-32-36(24-28-46(44)55)37-25-29-49-53(33-37)59-54-35-39(27-31-50(54)57(49)42-18-8-3-9-19-42)38-26-30-48-52(34-38)58-51-23-13-12-22-47(51)56(48)41-16-6-2-7-17-41/h3-37H,1-2H3;3*1-35H.
What are the key properties of 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine?
3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine has a molecular weight of 3137.99 g/mol, XLogP of 63.40, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenothiazine;10-phenyl-3-(9-phenylcarbazol-3-yl)-7-(10-phenylphenothiazin-3-yl)phenoxazine;10-phenyl-3-[10-phenyl-7-(9-phenylcarbazol-3-yl)phenothiazin-3-yl]phenoxazine is sourced from PubChem (CID 157266387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).