24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C51H34O — CID 130211867

IUPAC24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2c1c1oc3ccccc3c1c1ccccc21
InChIInChI=1S/C51H34O/c1-51(2)43-29-28-34(30-42(43)47-39-20-10-11-21-40(39)48-41-22-12-13-23-44(41)52-50(48)49(47)51)31-24-26-33(27-25-31)46-37-18-8-6-16-35(37)45(32-14-4-3-5-15-32)36-17-7-9-19-38(36)46/h3-30H,1-2H3
InChIKeyGRRSSKNKDZJYRG-UHFFFAOYSA-N
MW662.83 g/mol
LogP14.35
Rot. Bonds3

About 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 130211867) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
PubChem CID130211867
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2c1c1oc3ccccc3c1c1ccccc21
InChIInChI=1S/C51H34O/c1-51(2)43-29-28-34(30-42(43)47-39-20-10-11-21-40(39)48-41-22-12-13-23-44(41)52-50(48)49(47)51)31-24-26-33(27-25-31)46-37-18-8-6-16-35(37)45(32-14-4-3-5-15-32)36-17-7-9-19-38(36)46/h3-30H,1-2H3
InChIKeyGRRSSKNKDZJYRG-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-5-amine
CID 170406222
4-[2-[10-[4-(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]anthracen-9-yl]phenyl]dibenzofuran
CID 121421429
2-[4-[10-[4-(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]anthracen-9-yl]phenyl]dibenzofuran
CID 121421435
18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-24-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477794
21,21-dimethyl-17-[10-(4-phenylphenyl)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 140724573
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
21,21-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15(20),16,18,23-undecaene
CID 130211869
22,22-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[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 130211875
11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran
CID 129254631
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122427509
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 130211867) is 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2-c2c1c1oc3ccccc3c1c1ccccc21.
What is the InChIKey of 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The InChIKey is GRRSSKNKDZJYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)43-29-28-34(30-42(43)47-39-20-10-11-21-40(39)48-41-22-12-13-23-44(41)52-50(48)49(47)51)31-24-26-33(27-25-31)46-37-18-8-6-16-35(37)45(32-14-4-3-5-15-32)36-17-7-9-19-38(36)46/h3-30H,1-2H3.
What are the key properties of 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 662.83 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-20-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 130211867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).