15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C61H40O — CID 130186138

IUPAC15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4cc(-c5ccc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)c6ccccc56)c5ccccc5c43)c21
InChIInChI=1S/C61H40O/c1-61(2)54-30-15-14-24-44(54)51-33-34-52-58-45-25-9-8-23-42(45)53(36-55(58)62-60(52)59(51)61)43-31-32-50(41-22-7-6-21-40(41)43)57-48-28-12-10-26-46(48)56(47-27-11-13-29-49(47)57)39-20-16-19-38(35-39)37-17-4-3-5-18-37/h3-36H,1-2H3
InChIKeyLOMVXIVOAUFLOW-UHFFFAOYSA-N
MW788.99 g/mol
LogP17.17
Rot. Bonds4

About 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 130186138) has the molecular formula C61H40O and a molecular weight of 788.99 g/mol. Its IUPAC name is 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID130186138
Molecular FormulaC61H40O
Molecular Weight788.99 g/mol
Exact Mass788.31
IUPAC Name15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(oc4cc(-c5ccc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)c6ccccc56)c5ccccc5c43)c21
InChIInChI=1S/C61H40O/c1-61(2)54-30-15-14-24-44(54)51-33-34-52-58-45-25-9-8-23-42(45)53(36-55(58)62-60(52)59(51)61)43-31-32-50(41-22-7-6-21-40(41)43)57-48-28-12-10-26-46(48)56(47-27-11-13-29-49(47)57)39-20-16-19-38(35-39)37-17-4-3-5-18-37/h3-36H,1-2H3
InChIKeyLOMVXIVOAUFLOW-UHFFFAOYSA-N
XLogP17.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

23,23-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-thiahexacyclo[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 130186150
15,15-dimethyl-19-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130189441
3,3-dimethyl-6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 130189461
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
3,3-dimethyl-19-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186048
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
23,23-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17(22),18,20-undecaene
CID 130211951
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
22,22-dimethyl-9-[3-(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 130186001
4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415644
3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene
CID 58323064

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 130186138) is 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is CC1(C)c2ccccc2-c2ccc3c(oc4cc(-c5ccc(-c6c7ccccc7c(-c7cccc(-c8ccccc8)c7)c7ccccc67)c6ccccc56)c5ccccc5c43)c21.
What is the InChIKey of 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is LOMVXIVOAUFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40O/c1-61(2)54-30-15-14-24-44(54)51-33-34-52-58-45-25-9-8-23-42(45)53(36-55(58)62-60(52)59(51)61)43-31-32-50(41-22-7-6-21-40(41)43)57-48-28-12-10-26-46(48)56(47-27-11-13-29-49(47)57)39-20-16-19-38(35-39)37-17-4-3-5-18-37/h3-36H,1-2H3.
What are the key properties of 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 788.99 g/mol, XLogP of 17.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-12-oxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 130186138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).