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

C49H32O — CID 130211763

IUPAC9,9-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21
InChIInChI=1S/C49H32O/c1-49(2)42-24-22-31-27-45-41(34-13-9-10-18-44(34)50-45)28-40(31)48(42)39-23-21-33(26-43(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/h3-28H,1-2H3
InChIKeyKAUHUBNYSZMHOH-UHFFFAOYSA-N
MW636.79 g/mol
LogP13.84
Rot. Bonds2

About 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

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 (PubChem CID 130211763) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID130211763
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name9,9-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
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21
InChIInChI=1S/C49H32O/c1-49(2)42-24-22-31-27-45-41(34-13-9-10-18-44(34)50-45)28-40(31)48(42)39-23-21-33(26-43(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/h3-28H,1-2H3
InChIKeyKAUHUBNYSZMHOH-UHFFFAOYSA-N
XLogP13.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
2-[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]naphtho[2,3-b][1]benzofuran
CID 144583462
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
1-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran;1-[10-(6-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 165057953
8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 160957556
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,3-dimethyl-16-oxahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 163540589
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
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
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
2-[4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 121420972

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2-c2c1ccc1cc3oc4ccccc4c3cc21.
What is the InChIKey of 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?
The InChIKey is KAUHUBNYSZMHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-49(2)42-24-22-31-27-45-41(34-13-9-10-18-44(34)50-45)28-40(31)48(42)39-23-21-33(26-43(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/h3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 636.79 g/mol, XLogP of 13.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).