6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

C51H32O2 — CID 130213656

IUPAC6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)cc21
InChIInChI=1S/C51H32O2/c1-51(2)41-21-11-9-13-31(41)32-25-23-29(27-42(32)51)45-33-14-3-5-16-35(33)46(36-17-6-4-15-34(36)45)30-24-26-40-44(28-30)53-50-38-19-8-7-18-37(38)49-47(48(40)50)39-20-10-12-22-43(39)52-49/h3-28H,1-2H3
InChIKeyYIBIZERXQGXMSW-UHFFFAOYSA-N
MW676.82 g/mol
LogP14.59
Rot. Bonds2

About 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (PubChem CID 130213656) has the molecular formula C51H32O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
PubChem CID130213656
Molecular FormulaC51H32O2
Molecular Weight676.82 g/mol
Exact Mass676.24
IUPAC Name6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)cc21
InChIInChI=1S/C51H32O2/c1-51(2)41-21-11-9-13-31(41)32-25-23-29(27-42(32)51)45-33-14-3-5-16-35(33)46(36-17-6-4-15-34(36)45)30-24-26-40-44(28-30)53-50-38-19-8-7-18-37(38)49-47(48(40)50)39-20-10-12-22-43(39)52-49/h3-28H,1-2H3
InChIKeyYIBIZERXQGXMSW-UHFFFAOYSA-N
XLogP14.59
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

6,21-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182458
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487897
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122425952
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
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
18-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130213645
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130185529
11-(9,9-dimethylfluoren-2-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213739
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran
CID 158936600

Frequently Asked Questions

What is the IUPAC name of 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The IUPAC name of 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (CID 130213656) is 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The canonical SMILES for 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)cc21.
What is the InChIKey of 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The InChIKey is YIBIZERXQGXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32O2/c1-51(2)41-21-11-9-13-31(41)32-25-23-29(27-42(32)51)45-33-14-3-5-16-35(33)46(36-17-6-4-15-34(36)45)30-24-26-40-44(28-30)53-50-38-19-8-7-18-37(38)49-47(48(40)50)39-20-10-12-22-43(39)52-49/h3-28H,1-2H3.
What are the key properties of 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene has a molecular weight of 676.82 g/mol, XLogP of 14.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 130213656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).