5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

C59H38O — CID 130188826

IUPAC5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7cc8ccccc8cc7oc65)cc4)c4ccccc34)ccc21
InChIInChI=1S/C59H38O/c1-59(2)52-22-12-11-16-42(52)50-33-40(28-30-53(50)59)56-46-20-9-7-18-44(46)55(45-19-8-10-21-47(45)56)36-25-23-35(24-26-36)39-27-29-48-49(31-39)41-15-5-6-17-43(41)57-51-32-37-13-3-4-14-38(37)34-54(51)60-58(48)57/h3-34H,1-2H3
InChIKeyLLWIEAQZMAECNB-UHFFFAOYSA-N
MW762.95 g/mol
LogP16.66
Rot. Bonds3

About 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (PubChem CID 130188826) has the molecular formula C59H38O and a molecular weight of 762.95 g/mol. Its IUPAC name is 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
PubChem CID130188826
Molecular FormulaC59H38O
Molecular Weight762.95 g/mol
Exact Mass762.29
IUPAC Name5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7cc8ccccc8cc7oc65)cc4)c4ccccc34)ccc21
InChIInChI=1S/C59H38O/c1-59(2)52-22-12-11-16-42(52)50-33-40(28-30-53(50)59)56-46-20-9-7-18-44(46)55(45-19-8-10-21-47(45)56)36-25-23-35(24-26-36)39-27-29-48-49(31-39)41-15-5-6-17-43(41)57-51-32-37-13-3-4-14-38(37)34-54(51)60-58(48)57/h3-34H,1-2H3
InChIKeyLLWIEAQZMAECNB-UHFFFAOYSA-N
XLogP16.66
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 122426487
26-(9,9-dimethylfluoren-2-yl)-20,21-dimethyl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18(23),19,21,24(29),25,27-tetradecaene
CID 154600439
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
9-anthracen-9-yl-3-oxaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene;7-(7,7-dimethylbenzo[c]fluoren-4-yl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene;8-[10-(3-phenylphenyl)anthracen-9-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene
CID 159557178
9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-16-oxaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9(14),10,12,18,20,22,24,26,28-tetradecaene
CID 158339037
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
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
1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 153473780
5-[9,9-dimethyl-6-(10-phenylanthracen-9-yl)fluoren-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188873
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9,9-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185993
3,3-dimethyl-12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130189362

Frequently Asked Questions

What is the IUPAC name of 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The IUPAC name of 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (CID 130188826) is 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.
What is the SMILES notation for 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The canonical SMILES for 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)c5ccccc5c5c7cc8ccccc8cc7oc65)cc4)c4ccccc34)ccc21.
What is the InChIKey of 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The InChIKey is LLWIEAQZMAECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38O/c1-59(2)52-22-12-11-16-42(52)50-33-40(28-30-53(50)59)56-46-20-9-7-18-44(46)55(45-19-8-10-21-47(45)56)36-25-23-35(24-26-36)39-27-29-48-49(31-39)41-15-5-6-17-43(41)57-51-32-37-13-3-4-14-38(37)34-54(51)60-58(48)57/h3-34H,1-2H3.
What are the key properties of 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene has a molecular weight of 762.95 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 5-[4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is sourced from PubChem (CID 130188826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).