14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C66H48N2S2Se2 — CID 153427044

IUPAC14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc3c(-c3ccc(C)s3)c3ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc23)s1
InChIInChI=1S/C66H48N2S2Se2/c1-37-23-29-57(69-37)63-43-27-25-40(68-54-20-12-10-18-50(54)66(5,6)52-34-46-42-16-8-14-22-60(42)72-62(46)36-56(52)68)32-48(43)64(58-30-24-38(2)70-58)44-28-26-39(31-47(44)63)67-53-19-11-9-17-49(53)65(3,4)51-33-45-41-15-7-13-21-59(41)71-61(45)35-55(51)67/h7-36H,1-6H3
InChIKeyWCJDECDATDTPLD-UHFFFAOYSA-N
MW1091.18 g/mol
LogP19.01
Rot. Bonds4

About 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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 153427044) has the molecular formula C66H48N2S2Se2 and a molecular weight of 1091.18 g/mol. Its IUPAC name is 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID153427044
Molecular FormulaC66H48N2S2Se2
Molecular Weight1091.18 g/mol
Exact Mass1092.16
IUPAC Name14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc3c(-c3ccc(C)s3)c3ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc23)s1
InChIInChI=1S/C66H48N2S2Se2/c1-37-23-29-57(69-37)63-43-27-25-40(68-54-20-12-10-18-50(54)66(5,6)52-34-46-42-16-8-14-22-60(42)72-62(46)36-56(52)68)32-48(43)64(58-30-24-38(2)70-58)44-28-26-39(31-47(44)63)67-53-19-11-9-17-49(53)65(3,4)51-33-45-41-15-7-13-21-59(41)71-61(45)35-55(51)67/h7-36H,1-6H3
InChIKeyWCJDECDATDTPLD-UHFFFAOYSA-N
XLogP19.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.18
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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

14-[6-(21,21-dimethyl-10-selena-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)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-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-(21-thia-10-selena-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)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 157280340
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
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
14-[9,10-diphenyl-6-(2,7,9,9-tetramethylacridin-10-yl)anthracen-2-yl]-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213328
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909
6-(21,21-dimethyl-10-oxa-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)-N,N-diphenyl-9,10-dithiophen-2-ylanthracen-2-amine
CID 146213038
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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
CID 148941843

Frequently Asked Questions

What is the IUPAC name of 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153427044) is 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1ccc(-c2c3ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc3c(-c3ccc(C)s3)c3ccc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc23)s1.
What is the InChIKey of 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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 WCJDECDATDTPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2S2Se2/c1-37-23-29-57(69-37)63-43-27-25-40(68-54-20-12-10-18-50(54)66(5,6)52-34-46-42-16-8-14-22-60(42)72-62(46)36-56(52)68)32-48(43)64(58-30-24-38(2)70-58)44-28-26-39(31-47(44)63)67-53-19-11-9-17-49(53)65(3,4)51-33-45-41-15-7-13-21-59(41)71-61(45)35-55(51)67/h7-36H,1-6H3.
What are the key properties of 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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 1091.18 g/mol, XLogP of 19.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(21,21-dimethyl-10-selena-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-bis(5-methylthiophen-2-yl)anthracen-2-yl]-21,21-dimethyl-10-selena-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 153427044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).