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

C55H36O — CID 130212007

IUPAC15,15-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
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc2-c2ccc3c(ccc4c5ccccc5oc34)c21
InChIInChI=1S/C55H36O/c1-55(2)49-32-36(24-25-39(49)45-26-29-48-46(53(45)55)27-28-47-40-16-9-10-21-50(40)56-54(47)48)35-14-11-15-37(31-35)51-41-17-5-7-19-43(41)52(44-20-8-6-18-42(44)51)38-23-22-33-12-3-4-13-34(33)30-38/h3-32H,1-2H3
InChIKeyMKLDLUPXQQAJFW-UHFFFAOYSA-N
MW712.89 g/mol
LogP15.51
Rot. Bonds3

About 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

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 (PubChem CID 130212007) has the molecular formula C55H36O and a molecular weight of 712.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15,15-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
PubChem CID130212007
Molecular FormulaC55H36O
Molecular Weight712.89 g/mol
Exact Mass712.28
IUPAC Name15,15-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
SMILESCC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc2-c2ccc3c(ccc4c5ccccc5oc34)c21
InChIInChI=1S/C55H36O/c1-55(2)49-32-36(24-25-39(49)45-26-29-48-46(53(45)55)27-28-47-40-16-9-10-21-50(40)56-54(47)48)35-14-11-15-37(31-35)51-41-17-5-7-19-43(41)52(44-20-8-6-18-42(44)51)38-23-22-33-12-3-4-13-34(33)30-38/h3-32H,1-2H3
InChIKeyMKLDLUPXQQAJFW-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 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 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
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
15,15-dimethyl-19-(10-phenylanthracen-9-yl)-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 130211730
8-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 90433286
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122425764
21,21-dimethyl-18-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 160935676
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
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122426855
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
7-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568836
7-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568845
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 161122993

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc2-c2ccc3c(ccc4c5ccccc5oc34)c21.
What is the InChIKey of 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?
The InChIKey is MKLDLUPXQQAJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O/c1-55(2)49-32-36(24-25-39(49)45-26-29-48-46(53(45)55)27-28-47-40-16-9-10-21-50(40)56-54(47)48)35-14-11-15-37(31-35)51-41-17-5-7-19-43(41)52(44-20-8-6-18-42(44)51)38-23-22-33-12-3-4-13-34(33)30-38/h3-32H,1-2H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 130212007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).