7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

C64H40O2 — CID 153303329

IUPAC7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESCc1ccc2c(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8c9ccccc9c(-c9ccccc9)c9cc(C)ccc89)ccc7c6cc5cc34)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C64H40O2/c1-37-21-25-51-55(29-37)61(39-13-5-3-6-14-39)47-17-9-11-19-49(47)63(51)41-23-27-45-53-31-43-32-54-46-28-24-42(34-58(46)66-60(54)36-44(43)35-59(53)65-57(45)33-41)64-50-20-12-10-18-48(50)62(40-15-7-4-8-16-40)56-30-38(2)22-26-52(56)64/h3-36H,1-2H3
InChIKeyIDJDPSVOCRERNK-UHFFFAOYSA-N
MW841.02 g/mol
LogP18.54
Rot. Bonds4

About 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (PubChem CID 153303329) has the molecular formula C64H40O2 and a molecular weight of 841.02 g/mol. Its IUPAC name is 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.

Molecular Properties

Compound Name7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
PubChem CID153303329
Molecular FormulaC64H40O2
Molecular Weight841.02 g/mol
Exact Mass840.30
IUPAC Name7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
SMILESCc1ccc2c(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8c9ccccc9c(-c9ccccc9)c9cc(C)ccc89)ccc7c6cc5cc34)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C64H40O2/c1-37-21-25-51-55(29-37)61(39-13-5-3-6-14-39)47-17-9-11-19-49(47)63(51)41-23-27-45-53-31-43-32-54-46-28-24-42(34-58(46)66-60(54)36-44(43)35-59(53)65-57(45)33-41)64-50-20-12-10-18-48(50)62(40-15-7-4-8-16-40)56-30-38(2)22-26-52(56)64/h3-36H,1-2H3
InChIKeyIDJDPSVOCRERNK-UHFFFAOYSA-N
XLogP18.54
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.02
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7,19-bis(10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7,19-bis[3-(10-phenylanthracen-9-yl)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7,19-di(anthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7,19-di(phenanthren-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;7-[3-(10-phenylanthracen-9-yl)phenyl]-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 158636312
8-(3,10-diphenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;2-(2-methyl-10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;8-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;8-(3-naphthalen-2-yl-10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 161493410
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
3-[2-[10-(2-naphthalen-1-ylphenyl)-9-naphtho[2,3-b][1]benzofuran-3-ylanthracen-2-yl]-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167247477
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
CID 88569060
3-[10-(2,4,6-trideuterio-3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662233
CID 165025337
CID 165025337
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran;3-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 158492616
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
CID 58991814

Frequently Asked Questions

What is the IUPAC name of 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The IUPAC name of 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (CID 153303329) is 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.
What is the SMILES notation for 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The canonical SMILES for 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is Cc1ccc2c(-c3ccc4c(c3)oc3cc5cc6oc7cc(-c8c9ccccc9c(-c9ccccc9)c9cc(C)ccc89)ccc7c6cc5cc34)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
The InChIKey is IDJDPSVOCRERNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40O2/c1-37-21-25-51-55(29-37)61(39-13-5-3-6-14-39)47-17-9-11-19-49(47)63(51)41-23-27-45-53-31-43-32-54-46-28-24-42(34-58(46)66-60(54)36-44(43)35-59(53)65-57(45)33-41)64-50-20-12-10-18-48(50)62(40-15-7-4-8-16-40)56-30-38(2)22-26-52(56)64/h3-36H,1-2H3.
What are the key properties of 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?
7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene has a molecular weight of 841.02 g/mol, XLogP of 18.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 153303329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).