24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene

C49H36O — CID 163753654

IUPAC24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene
SMILESCC1(C)c2ccc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)=CCCC=4)cc2-c2c1c1c3c(oc1c1ccccc21)C=CCC3
InChIInChI=1S/C49H36O/c1-49(2)41-26-25-32(28-40(41)45-37-19-9-10-20-38(37)48-46(47(45)49)39-21-11-12-22-42(39)50-48)44-35-17-7-5-15-33(35)43(34-16-6-8-18-36(34)44)31-24-23-29-13-3-4-14-30(29)27-31/h3-5,7,9-10,12-20,22-28H,6,8,11,21H2,1-2H3
InChIKeySWDIKIPACNDBNA-UHFFFAOYSA-N
MW640.83 g/mol
LogP11.85
Rot. Bonds2

About 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene

24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene (PubChem CID 163753654) has the molecular formula C49H36O and a molecular weight of 640.83 g/mol. Its IUPAC name is 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene.

Molecular Properties

Compound Name24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene
PubChem CID163753654
Molecular FormulaC49H36O
Molecular Weight640.83 g/mol
Exact Mass640.28
IUPAC Name24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene
SMILESCC1(C)c2ccc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)=CCCC=4)cc2-c2c1c1c3c(oc1c1ccccc21)C=CCC3
InChIInChI=1S/C49H36O/c1-49(2)41-26-25-32(28-40(41)45-37-19-9-10-20-38(37)48-46(47(45)49)39-21-11-12-22-42(39)50-48)44-35-17-7-5-15-33(35)43(34-16-6-8-18-36(34)44)31-24-23-29-13-3-4-14-30(29)27-31/h3-5,7,9-10,12-20,22-28H,6,8,11,21H2,1-2H3
InChIKeySWDIKIPACNDBNA-UHFFFAOYSA-N
XLogP11.85
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene with MolForge

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Related Compounds

17-(9,10-dinaphthalen-2-ylanthracen-2-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724653
10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856949
19-[6-[2,3-bis(ethenyl)-4-naphthalen-2-yl-6,7-dihydronaphthalen-1-yl]-9,9-dimethylfluoren-2-yl]-9,23-dioxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17(22),18,20-undecaene
CID 130213747
12-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16-octaene
CID 170014185
10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232450
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
21,21-dimethyl-17-(10-phenanthren-3-ylanthracen-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 140724763
10-[5-[3-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)phenyl]-8H-cyclohepta[b]naphthalen-11-yl]naphtho[2,1-b][1]benzofuran
CID 144802936
22,22-dimethyl-18-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 163494516
9,9-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)-2,3-dihydroanthracen-9-yl]-15-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 164704355
21,21-dimethyl-18-(10-naphthalen-2-ylanthracen-9-yl)-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),6,11,14(22),15(20),16,18,23-decaene
CID 130212059
2-(8,9-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-(3-phenanthren-3-ylphenyl)-1,3,5-triazine
CID 170134501

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene?
The IUPAC name of 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene (CID 163753654) is 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene.
What is the SMILES notation for 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene?
The canonical SMILES for 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene is CC1(C)c2ccc(-c3c4c(c(-c5ccc6ccccc6c5)c5ccccc35)=CCCC=4)cc2-c2c1c1c3c(oc1c1ccccc21)C=CCC3.
What is the InChIKey of 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene?
The InChIKey is SWDIKIPACNDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36O/c1-49(2)41-26-25-32(28-40(41)45-37-19-9-10-20-38(37)48-46(47(45)49)39-21-11-12-22-42(39)50-48)44-35-17-7-5-15-33(35)43(34-16-6-8-18-36(34)44)31-24-23-29-13-3-4-14-30(29)27-31/h3-5,7,9-10,12-20,22-28H,6,8,11,21H2,1-2H3.
What are the key properties of 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene?
24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene has a molecular weight of 640.83 g/mol, XLogP of 11.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-20-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),6,11,13,15,18(23),19,21-decaene is sourced from PubChem (CID 163753654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).