5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene

C80H54O2 — CID 89104727

IUPAC5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)Oc4ccc6c7c4=C5CCC=7c4ccc(-c5c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc57)cc4O6)c4ccccc34)cc21
InChIInChI=1S/C80H54O2/c1-79(2)65-27-15-13-17-49(65)51-33-29-45(41-67(51)79)73-55-19-5-9-23-59(55)75(60-24-10-6-20-56(60)73)47-31-35-53-63-37-38-64-54-36-32-48(44-72(54)82-70-40-39-69(77(63)78(64)70)81-71(53)43-47)76-61-25-11-7-21-57(61)74(58-22-8-12-26-62(58)76)46-30-34-52-50-18-14-16-28-66(50)80(3,4)68(52)42-46/h5-36,39-44H,37-38H2,1-4H3
InChIKeyBVOHFBJJDLCVQC-UHFFFAOYSA-N
MW1047.31 g/mol
LogP19.98
Rot. Bonds4

About 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene

5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene (PubChem CID 89104727) has the molecular formula C80H54O2 and a molecular weight of 1047.31 g/mol. Its IUPAC name is 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene.

Molecular Properties

Compound Name5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene
PubChem CID89104727
Molecular FormulaC80H54O2
Molecular Weight1047.31 g/mol
Exact Mass1046.41
IUPAC Name5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)Oc4ccc6c7c4=C5CCC=7c4ccc(-c5c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc57)cc4O6)c4ccccc34)cc21
InChIInChI=1S/C80H54O2/c1-79(2)65-27-15-13-17-49(65)51-33-29-45(41-67(51)79)73-55-19-5-9-23-59(55)75(60-24-10-6-20-56(60)73)47-31-35-53-63-37-38-64-54-36-32-48(44-72(54)82-70-40-39-69(77(63)78(64)70)81-71(53)43-47)76-61-25-11-7-21-57(61)74(58-22-8-12-26-62(58)76)46-30-34-52-50-18-14-16-28-66(50)80(3,4)68(52)42-46/h5-36,39-44H,37-38H2,1-4H3
InChIKeyBVOHFBJJDLCVQC-UHFFFAOYSA-N
XLogP19.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.31
LogP ≤ 519.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene with MolForge

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Related Compounds

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
CID 59195509
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-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323

Frequently Asked Questions

What is the IUPAC name of 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene?
The IUPAC name of 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene (CID 89104727) is 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene.
What is the SMILES notation for 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene?
The canonical SMILES for 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)Oc4ccc6c7c4=C5CCC=7c4ccc(-c5c7ccccc7c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc57)cc4O6)c4ccccc34)cc21.
What is the InChIKey of 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene?
The InChIKey is BVOHFBJJDLCVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54O2/c1-79(2)65-27-15-13-17-49(65)51-33-29-45(41-67(51)79)73-55-19-5-9-23-59(55)75(60-24-10-6-20-56(60)73)47-31-35-53-63-37-38-64-54-36-32-48(44-72(54)82-70-40-39-69(77(63)78(64)70)81-71(53)43-47)76-61-25-11-7-21-57(61)74(58-22-8-12-26-62(58)76)46-30-34-52-50-18-14-16-28-66(50)80(3,4)68(52)42-46/h5-36,39-44H,37-38H2,1-4H3.
What are the key properties of 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene?
5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene has a molecular weight of 1047.31 g/mol, XLogP of 19.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,16-bis[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24)-decaene is sourced from PubChem (CID 89104727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).