5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene

C53H34O — CID 153472081

IUPAC5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4c4c5ccc5oc6ccccc6c54)c4ccccc34)ccc21
InChIInChI=1S/C53H34O/c1-53(2)45-21-11-9-14-35(45)44-30-32(24-27-46(44)53)50-39-18-7-5-16-37(39)49(38-17-6-8-19-40(38)50)31-23-25-34-41-26-28-48-52(42-20-10-12-22-47(42)54-48)51(41)36-15-4-3-13-33(36)43(34)29-31/h3-30H,1-2H3
InChIKeyUYTSHQXLIOPSPD-UHFFFAOYSA-N
MW686.85 g/mol
LogP14.99
Rot. Bonds2

About 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene

5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene (PubChem CID 153472081) has the molecular formula C53H34O and a molecular weight of 686.85 g/mol. Its IUPAC name is 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene.

Molecular Properties

Compound Name5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
PubChem CID153472081
Molecular FormulaC53H34O
Molecular Weight686.85 g/mol
Exact Mass686.26
IUPAC Name5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4c4c5ccc5oc6ccccc6c54)c4ccccc34)ccc21
InChIInChI=1S/C53H34O/c1-53(2)45-21-11-9-14-35(45)44-30-32(24-27-46(44)53)50-39-18-7-5-16-37(39)49(38-17-6-8-19-40(38)50)31-23-25-34-41-26-28-48-52(42-20-10-12-22-47(42)54-48)51(41)36-15-4-3-13-33(36)43(34)29-31/h3-30H,1-2H3
InChIKeyUYTSHQXLIOPSPD-UHFFFAOYSA-N
XLogP14.99
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.85
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene with MolForge

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Related Compounds

4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415644
18-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163952762
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190296
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122425961
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-23,23-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130186172
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943

Frequently Asked Questions

What is the IUPAC name of 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene?
The IUPAC name of 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene (CID 153472081) is 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene.
What is the SMILES notation for 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene?
The canonical SMILES for 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4c4c5ccc5oc6ccccc6c54)c4ccccc34)ccc21.
What is the InChIKey of 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene?
The InChIKey is UYTSHQXLIOPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O/c1-53(2)45-21-11-9-14-35(45)44-30-32(24-27-46(44)53)50-39-18-7-5-16-37(39)49(38-17-6-8-19-40(38)50)31-23-25-34-41-26-28-48-52(42-20-10-12-22-47(42)54-48)51(41)36-15-4-3-13-33(36)43(34)29-31/h3-30H,1-2H3.
What are the key properties of 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene?
5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene has a molecular weight of 686.85 g/mol, XLogP of 14.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene is sourced from PubChem (CID 153472081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).