9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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

C53H34O — CID 134487924

IUPAC9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc13)c1ccccc21
InChIInChI=1S/C53H34O/c1-53(2)44-26-14-13-25-41(44)50-35-19-7-5-17-33(35)42(29-45(50)53)48-37-21-9-11-23-39(37)49(40-24-12-10-22-38(40)48)43-30-47-52(36-20-8-6-18-34(36)43)51-32-16-4-3-15-31(32)27-28-46(51)54-47/h3-30H,1-2H3
InChIKeyKESZYNAAXDRDFG-UHFFFAOYSA-N
MW686.85 g/mol
LogP14.99
Rot. Bonds2

About 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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 (PubChem CID 134487924) has the molecular formula C53H34O and a molecular weight of 686.85 g/mol. Its IUPAC name is 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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.

Molecular Properties

Compound Name9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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
PubChem CID134487924
Molecular FormulaC53H34O
Molecular Weight686.85 g/mol
Exact Mass686.26
IUPAC Name9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc13)c1ccccc21
InChIInChI=1S/C53H34O/c1-53(2)44-26-14-13-25-41(44)50-35-19-7-5-17-33(35)42(29-45(50)53)48-37-21-9-11-23-39(37)49(40-24-12-10-22-38(40)48)43-30-47-52(36-20-8-6-18-34(36)43)51-32-16-4-3-15-31(32)27-28-46(51)54-47/h3-30H,1-2H3
InChIKeyKESZYNAAXDRDFG-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'}

Analyze 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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 with MolForge

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Related Compounds

15-(10-dibenzofuran-2-ylanthracen-9-yl)-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 130189604
7,7-dimethyl-5-[10-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]anthracen-9-yl]benzo[c]fluorene
CID 123322545
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334387
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
4-(7,7-dimethylbenzo[c]fluoren-5-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411777
21,21,42,42-tetramethyl-7,28-dioxaundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 126674040
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-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
CID 134487541
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910

Frequently Asked Questions

What is the IUPAC name of 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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?
The IUPAC name of 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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 (CID 134487924) is 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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.
What is the SMILES notation for 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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?
The canonical SMILES for 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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 is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cc4oc5ccc6ccccc6c5c4c4ccccc34)c3ccccc13)c1ccccc21.
What is the InChIKey of 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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?
The InChIKey is KESZYNAAXDRDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O/c1-53(2)44-26-14-13-25-41(44)50-35-19-7-5-17-33(35)42(29-45(50)53)48-37-21-9-11-23-39(37)49(40-24-12-10-22-38(40)48)43-30-47-52(36-20-8-6-18-34(36)43)51-32-16-4-3-15-31(32)27-28-46(51)54-47/h3-30H,1-2H3.
What are the key properties of 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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 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 9-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-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 is sourced from PubChem (CID 134487924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).