6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene

C49H36O — CID 163920147

IUPAC6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)CCC=C5)c4ccccc34)ccc2-c2c1ccc1cc3c4c(oc3cc21)CCC=C4
InChIInChI=1S/C49H36O/c1-49(2)42-24-22-31-26-41-34-13-9-10-18-44(34)50-45(41)28-40(31)48(42)39-23-21-33(27-43(39)49)47-37-16-7-5-14-35(37)46(36-15-6-8-17-38(36)47)32-20-19-29-11-3-4-12-30(29)25-32/h3,5-9,11,13-17,19-28H,4,10,12,18H2,1-2H3
InChIKeyKXHKSNZKDOWPLZ-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.45
Rot. Bonds2

About 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene

6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene (PubChem CID 163920147) has the molecular formula C49H36O and a molecular weight of 640.83 g/mol. Its IUPAC name is 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene.

Molecular Properties

Compound Name6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
PubChem CID163920147
Molecular FormulaC49H36O
Molecular Weight640.83 g/mol
Exact Mass640.28
IUPAC Name6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)CCC=C5)c4ccccc34)ccc2-c2c1ccc1cc3c4c(oc3cc21)CCC=C4
InChIInChI=1S/C49H36O/c1-49(2)42-24-22-31-26-41-34-13-9-10-18-44(34)50-45(41)28-40(31)48(42)39-23-21-33(27-43(39)49)47-37-16-7-5-14-35(37)46(36-15-6-8-17-38(36)47)32-20-19-29-11-3-4-12-30(29)25-32/h3,5-9,11,13-17,19-28H,4,10,12,18H2,1-2H3
InChIKeyKXHKSNZKDOWPLZ-UHFFFAOYSA-N
XLogP13.45
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 ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene with MolForge

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Related Compounds

6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9,17-trimethyl-16-[(Z)-prop-1-enyl]-18-thiapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3(8),4,6,11,13,15(19),16-nonaene
CID 130212066
9,9-dimethyl-6-(10-naphthalen-2-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130211763
9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130211829
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122426146
6-[4-(10-phenylanthracen-9-yl)phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
CID 163586642
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-[10-[2-(7,8-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 145436557
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
2-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 88564469
18-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3,22-dioxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130213645
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
2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran
CID 144583462

Frequently Asked Questions

What is the IUPAC name of 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene?
The IUPAC name of 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene (CID 163920147) is 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene.
What is the SMILES notation for 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene?
The canonical SMILES for 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)CCC=C5)c4ccccc34)ccc2-c2c1ccc1cc3c4c(oc3cc21)CCC=C4.
What is the InChIKey of 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene?
The InChIKey is KXHKSNZKDOWPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36O/c1-49(2)42-24-22-31-26-41-34-13-9-10-18-44(34)50-45(41)28-40(31)48(42)39-23-21-33(27-43(39)49)47-37-16-7-5-14-35(37)46(36-15-6-8-17-38(36)47)32-20-19-29-11-3-4-12-30(29)25-32/h3,5-9,11,13-17,19-28H,4,10,12,18H2,1-2H3.
What are the key properties of 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene?
6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene has a molecular weight of 640.83 g/mol, XLogP of 13.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]-9,9-dimethyl-22-oxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene is sourced from PubChem (CID 163920147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).