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

C55H36O — CID 130189461

IUPAC3,3-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
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)ccc2-c2ccc3oc4c5ccccc5ccc4c3c21
InChIInChI=1S/C55H36O/c1-55(2)48-32-36(26-27-40(48)46-29-30-49-52(53(46)55)47-28-25-34-14-4-6-19-39(34)54(47)56-49)35-16-11-17-37(31-35)50-42-20-7-9-22-44(42)51(45-23-10-8-21-43(45)50)41-24-12-15-33-13-3-5-18-38(33)41/h3-32H,1-2H3
InChIKeyGJRHISCLUNJPCH-UHFFFAOYSA-N
MW712.89 g/mol
LogP15.51
Rot. Bonds3

About 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

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 (PubChem CID 130189461) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3-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
PubChem CID130189461
Molecular FormulaC55H36O
Molecular Weight712.89 g/mol
Exact Mass712.28
IUPAC Name3,3-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
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)ccc2-c2ccc3oc4c5ccccc5ccc4c3c21
InChIInChI=1S/C55H36O/c1-55(2)48-32-36(26-27-40(48)46-29-30-49-52(53(46)55)47-28-25-34-14-4-6-19-39(34)54(47)56-49)35-16-11-17-37(31-35)50-42-20-7-9-22-44(42)51(45-23-10-8-21-43(45)50)41-24-12-15-33-13-3-5-18-38(33)41/h3-32H,1-2H3
InChIKeyGJRHISCLUNJPCH-UHFFFAOYSA-N
XLogP15.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.89
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-14-oxahexacyclo[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 130189280
11-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-3,3-dimethyl-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 130189632
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
7-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190368
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
15,15-dimethyl-18-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
CID 130212007
19-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190367
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene
CID 163661774
14-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130190377
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 130211750

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)ccc2-c2ccc3oc4c5ccccc5ccc4c3c21.
What is the InChIKey of 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?
The InChIKey is GJRHISCLUNJPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-55(2)48-32-36(26-27-40(48)46-29-30-49-52(53(46)55)47-28-25-34-14-4-6-19-39(34)54(47)56-49)35-16-11-17-37(31-35)50-42-20-7-9-22-44(42)51(45-23-10-8-21-43(45)50)41-24-12-15-33-13-3-5-18-38(33)41/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 712.89 g/mol, XLogP of 15.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130189461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).