14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C108H72N4S6 — CID 160709707

IUPAC14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC(C)c1cc(N2c3ccccc3Sc3ccccc32)c2ccc3c(C(C)C)cc(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)c4ccc1c2c34.c1ccc(-c2c3ccc(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)cc3c(-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1
InChIInChI=1S/C56H34N2S3.C52H38N2S3/c1-3-15-35(16-4-1)55-41-30-28-38(58-47-22-10-14-26-52(47)61-54-33-42-39-19-7-11-23-49(39)59-53(42)34-48(54)58)32-44(41)56(36-17-5-2-6-18-36)40-29-27-37(31-43(40)55)57-45-20-8-12-24-50(45)60-51-25-13-9-21-46(51)57;1-29(2)36-25-42(53-39-14-6-10-18-46(39)56-47-19-11-7-15-40(47)53)34-23-21-33-37(30(3)4)26-43(35-24-22-32(36)51(34)52(33)35)54-41-16-8-12-20-48(41)57-50-27-38-31-13-5-9-17-45(31)55-49(38)28-44(50)54/h1-34H;5-30H,1-4H3
InChIKeyRRRRAIUYBCDHMY-UHFFFAOYSA-N
MW1618.19 g/mol
LogP34.63
Rot. Bonds8

About 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 160709707) has the molecular formula C108H72N4S6 and a molecular weight of 1618.19 g/mol. Its IUPAC name is 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID160709707
Molecular FormulaC108H72N4S6
Molecular Weight1618.19 g/mol
Exact Mass1616.41
IUPAC Name14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC(C)c1cc(N2c3ccccc3Sc3ccccc32)c2ccc3c(C(C)C)cc(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)c4ccc1c2c34.c1ccc(-c2c3ccc(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)cc3c(-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1
InChIInChI=1S/C56H34N2S3.C52H38N2S3/c1-3-15-35(16-4-1)55-41-30-28-38(58-47-22-10-14-26-52(47)61-54-33-42-39-19-7-11-23-49(39)59-53(42)34-48(54)58)32-44(41)56(36-17-5-2-6-18-36)40-29-27-37(31-43(40)55)57-45-20-8-12-24-50(45)60-51-25-13-9-21-46(51)57;1-29(2)36-25-42(53-39-14-6-10-18-46(39)56-47-19-11-7-15-40(47)53)34-23-21-33-37(30(3)4)26-43(35-24-22-32(36)51(34)52(33)35)54-41-16-8-12-20-48(41)57-50-27-38-31-13-5-9-17-45(31)55-49(38)28-44(50)54/h1-34H;5-30H,1-4H3
InChIKeyRRRRAIUYBCDHMY-UHFFFAOYSA-N
XLogP34.63
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001618.19
LogP ≤ 534.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

12-[9,10-di(dibenzothiophen-2-yl)-6-(5-thia-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaen-12-yl)anthracen-2-yl]-5,16-dithia-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
CID 139459665
14-[10-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)anthracen-9-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-9,10-diphenylanthracen-2-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)pyren-1-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[7-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5,10-di(propan-2-yl)-6-(10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)pyren-1-yl]-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 159437141
10-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-9,10-diphenylanthracen-2-yl]phenoxazine
CID 146213013
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
5-[9,10-di(dibenzothiophen-1-yl)-6-(10-methylphenazin-5-yl)anthracen-2-yl]-10-methylphenazine
CID 59219918
29-[7-(9,9-dimethylacridin-10-yl)triphenylen-2-yl]-22,22-dimethyl-33-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;10,10-dimethyl-14-[6-phenothiazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 159574008
10-(27-thiaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21(26),22,24-tetradecaen-23-yl)phenothiazine
CID 146511399
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine
CID 163707720
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]phenazine
CID 59220247
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,10-diphenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220362

Frequently Asked Questions

What is the IUPAC name of 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 160709707) is 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC(C)c1cc(N2c3ccccc3Sc3ccccc32)c2ccc3c(C(C)C)cc(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)c4ccc1c2c34.c1ccc(-c2c3ccc(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)cc3c(-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc23)cc1.
What is the InChIKey of 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is RRRRAIUYBCDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2S3.C52H38N2S3/c1-3-15-35(16-4-1)55-41-30-28-38(58-47-22-10-14-26-52(47)61-54-33-42-39-19-7-11-23-49(39)59-53(42)34-48(54)58)32-44(41)56(36-17-5-2-6-18-36)40-29-27-37(31-43(40)55)57-45-20-8-12-24-50(45)60-51-25-13-9-21-46(51)57;1-29(2)36-25-42(53-39-14-6-10-18-46(39)56-47-19-11-7-15-40(47)53)34-23-21-33-37(30(3)4)26-43(35-24-22-32(36)51(34)52(33)35)54-41-16-8-12-20-48(41)57-50-27-38-31-13-5-9-17-45(31)55-49(38)28-44(50)54/h1-34H;5-30H,1-4H3.
What are the key properties of 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1618.19 g/mol, XLogP of 34.63, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(6-phenothiazin-10-yl-9,10-diphenylanthracen-2-yl)-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[6-phenothiazin-10-yl-3,8-di(propan-2-yl)pyren-1-yl]-10,21-dithia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 160709707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).