9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene

C55H40O — CID 163484996

IUPAC9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene
SMILESCC1(C)c2cc(-c3ccc4cc(-c5c6c(c(-c7ccccc7)c7ccccc57)=CCCC=6)ccc4c3)ccc2-c2c1ccc1ccc3c(c21)OC1C=CC=CC31
InChIInChI=1S/C55H40O/c1-55(2)47-29-26-34-24-27-45-40-14-10-11-19-49(40)56-54(45)52(34)53(47)46-28-25-38(32-48(46)55)36-20-21-37-31-39(23-22-35(37)30-36)51-43-17-8-6-15-41(43)50(33-12-4-3-5-13-33)42-16-7-9-18-44(42)51/h3-6,8,10-32,40,49H,7,9H2,1-2H3
InChIKeyPNAXAJVPDOVGRM-UHFFFAOYSA-N
MW716.92 g/mol
LogP12.78
Rot. Bonds3

About 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene

9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene (PubChem CID 163484996) has the molecular formula C55H40O and a molecular weight of 716.92 g/mol. Its IUPAC name is 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene.

Molecular Properties

Compound Name9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene
PubChem CID163484996
Molecular FormulaC55H40O
Molecular Weight716.92 g/mol
Exact Mass716.31
IUPAC Name9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene
SMILESCC1(C)c2cc(-c3ccc4cc(-c5c6c(c(-c7ccccc7)c7ccccc57)=CCCC=6)ccc4c3)ccc2-c2c1ccc1ccc3c(c21)OC1C=CC=CC31
InChIInChI=1S/C55H40O/c1-55(2)47-29-26-34-24-27-45-40-14-10-11-19-49(40)56-54(45)52(34)53(47)46-28-25-38(32-48(46)55)36-20-21-37-31-39(23-22-35(37)30-36)51-43-17-8-6-15-41(43)50(33-12-4-3-5-13-33)42-16-7-9-18-44(42)51/h3-6,8,10-32,40,49H,7,9H2,1-2H3
InChIKeyPNAXAJVPDOVGRM-UHFFFAOYSA-N
XLogP12.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.92
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene with MolForge

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Related Compounds

9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene
CID 163527995
9,9-dimethyl-N-[4-(4-naphthalen-2-yl-5a,9a-dihydrodibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135277301
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
7,7-dimethyl-9-naphthalen-2-yl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 163838484
3,3-dimethyl-7-[6-(10-phenylanthracen-9-yl)-7,8-dihydronaphthalen-2-yl]-22-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;16,16-dimethyl-20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),5,7,11,13,15(23),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),4,6,11,14,16(24),17(22),18,20-decaene;23,23-dimethyl-19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-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 163623113
17,17-dimethyl-20-[10-(4-phenylphenyl)anthracen-9-yl]-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene
CID 130212092
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
2-N-(5a,9a-dihydrodibenzofuran-4-yl)-6-N-dibenzofuran-4-yl-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89260922
8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182422
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167349804

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene?
The IUPAC name of 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene (CID 163484996) is 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene.
What is the SMILES notation for 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene?
The canonical SMILES for 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene is CC1(C)c2cc(-c3ccc4cc(-c5c6c(c(-c7ccccc7)c7ccccc57)=CCCC=6)ccc4c3)ccc2-c2c1ccc1ccc3c(c21)OC1C=CC=CC31.
What is the InChIKey of 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene?
The InChIKey is PNAXAJVPDOVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40O/c1-55(2)47-29-26-34-24-27-45-40-14-10-11-19-49(40)56-54(45)52(34)53(47)46-28-25-38(32-48(46)55)36-20-21-37-31-39(23-22-35(37)30-36)51-43-17-8-6-15-41(43)50(33-12-4-3-5-13-33)42-16-7-9-18-44(42)51/h3-6,8,10-32,40,49H,7,9H2,1-2H3.
What are the key properties of 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene?
9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene has a molecular weight of 716.92 g/mol, XLogP of 12.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-[6-(10-phenyl-2,3-dihydroanthracen-9-yl)naphthalen-2-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),18,20-decaene is sourced from PubChem (CID 163484996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).