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

C60H42O — CID 130186172

IUPAC9-[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
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7ccc8c(c7c6c6ccccc56)C(C)(C)c5ccccc5-8)cc4)c4ccccc34)ccc21
InChIInChI=1S/C60H42O/c1-59(2)49-23-13-12-17-40(49)48-33-37(29-31-51(48)59)55-44-21-9-7-19-42(44)54(43-20-8-10-22-45(43)55)36-27-25-35(26-28-36)47-34-53-56(41-18-6-5-15-38(41)47)57-52(61-53)32-30-46-39-16-11-14-24-50(39)60(3,4)58(46)57/h5-34H,1-4H3
InChIKeyPOSZFMYJYOWKNH-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.66
Rot. Bonds3

About 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

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 (PubChem CID 130186172) has the molecular formula C60H42O and a molecular weight of 779.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID130186172
Molecular FormulaC60H42O
Molecular Weight779.00 g/mol
Exact Mass778.32
IUPAC Name9-[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
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7ccc8c(c7c6c6ccccc56)C(C)(C)c5ccccc5-8)cc4)c4ccccc34)ccc21
InChIInChI=1S/C60H42O/c1-59(2)49-23-13-12-17-40(49)48-33-37(29-31-51(48)59)55-44-21-9-7-19-42(44)54(43-20-8-10-22-45(43)55)36-27-25-35(26-28-36)47-34-53-56(41-18-6-5-15-38(41)47)57-52(61-53)32-30-46-39-16-11-14-24-50(39)60(3,4)58(46)57/h5-34H,1-4H3
InChIKeyPOSZFMYJYOWKNH-UHFFFAOYSA-N
XLogP16.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

16-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-3,3-dimethyl-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186161
4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415644
23,23-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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(22),18,20-undecaene
CID 130189437
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
22,22-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 130185990
19-(10-dibenzofuran-3-ylanthracen-9-yl)-15,15-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 130213267
7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,3-dimethyl-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 163540589
3,3-dimethyl-22-[3-(10-phenylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 130185973
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
18-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-3-yl]-16,16-dimethyl-12-oxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaene
CID 130189677
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5cc6oc7ccc8c(c7c6c6ccccc56)C(C)(C)c5ccccc5-8)cc4)c4ccccc34)ccc21.
What is the InChIKey of 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?
The InChIKey is POSZFMYJYOWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42O/c1-59(2)49-23-13-12-17-40(49)48-33-37(29-31-51(48)59)55-44-21-9-7-19-42(44)54(43-20-8-10-22-45(43)55)36-27-25-35(26-28-36)47-34-53-56(41-18-6-5-15-38(41)47)57-52(61-53)32-30-46-39-16-11-14-24-50(39)60(3,4)58(46)57/h5-34H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 779.00 g/mol, XLogP of 16.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130186172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).