19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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

C55H44O — CID 167022445

IUPAC19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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
SMILESCCc1ccccc1-c1ccc(-c2ccccccc(-c3ccc4c(c3)-c3ccc5ccc6c7ccccc7oc6c5c3C4(C)C)c3ccccc23)cc1CC
InChIInChI=1S/C55H44O/c1-5-35-17-11-12-20-40(35)43-29-27-38(33-36(43)6-2)41-18-9-7-8-10-19-42(45-22-14-13-21-44(41)45)39-28-32-50-49(34-39)47-30-25-37-26-31-48-46-23-15-16-24-51(46)56-54(48)52(37)53(47)55(50,3)4/h7-34H,5-6H2,1-4H3/b8-7-,9-7-,10-8-,18-9+,19-10+,41-18+,42-19+,44-41+,45-42+
InChIKeyPXUNNWSKNCRZQG-PFZLEDFXSA-N
MW720.96 g/mol
LogP15.45
Rot. Bonds5

About 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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

19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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 (PubChem CID 167022445) has the molecular formula C55H44O and a molecular weight of 720.96 g/mol. Its IUPAC name is 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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.

Molecular Properties

Compound Name19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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
PubChem CID167022445
Molecular FormulaC55H44O
Molecular Weight720.96 g/mol
Exact Mass720.34
IUPAC Name19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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
SMILESCCc1ccccc1-c1ccc(-c2ccccccc(-c3ccc4c(c3)-c3ccc5ccc6c7ccccc7oc6c5c3C4(C)C)c3ccccc23)cc1CC
InChIInChI=1S/C55H44O/c1-5-35-17-11-12-20-40(35)43-29-27-38(33-36(43)6-2)41-18-9-7-8-10-19-42(45-22-14-13-21-44(41)45)39-28-32-50-49(34-39)47-30-25-37-26-31-48-46-23-15-16-24-51(46)56-54(48)52(37)53(47)55(50,3)4/h7-34H,5-6H2,1-4H3/b8-7-,9-7-,10-8-,18-9+,19-10+,41-18+,42-19+,44-41+,45-42+
InChIKeyPXUNNWSKNCRZQG-PFZLEDFXSA-N
XLogP15.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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 with MolForge

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Related Compounds

19-[5-(9,9-dimethylfluoren-2-yl)benzo[10]annulen-12-yl]-23,23-dimethyl-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 163592615
23,23-dimethyl-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),17,19,21-undecaene
CID 118545802
23,23-dimethyl-20-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 130211951
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
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-3-phenylaniline
CID 134392974
3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-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;3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]-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;15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-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;23,23-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxahexacyclo[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 158382726
2-[4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 165103205
18,18,21,21-tetramethyl-24-pyren-1-yl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 139476744
4-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602683
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
5-[9,9-dimethyl-6-(10-phenylanthracen-9-yl)fluoren-1-yl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 130188873
3,3-dimethyl-7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14(23),15,17,19,21-undecaene
CID 130189512

Frequently Asked Questions

What is the IUPAC name of 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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?
The IUPAC name of 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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 167022445) is 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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.
What is the SMILES notation for 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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?
The canonical SMILES for 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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 is CCc1ccccc1-c1ccc(-c2ccccccc(-c3ccc4c(c3)-c3ccc5ccc6c7ccccc7oc6c5c3C4(C)C)c3ccccc23)cc1CC.
What is the InChIKey of 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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?
The InChIKey is PXUNNWSKNCRZQG-PFZLEDFXSA-N. The full InChI is InChI=1S/C55H44O/c1-5-35-17-11-12-20-40(35)43-29-27-38(33-36(43)6-2)41-18-9-7-8-10-19-42(45-22-14-13-21-44(41)45)39-28-32-50-49(34-39)47-30-25-37-26-31-48-46-23-15-16-24-51(46)56-54(48)52(37)53(47)55(50,3)4/h7-34H,5-6H2,1-4H3/b8-7-,9-7-,10-8-,18-9+,19-10+,41-18+,42-19+,44-41+,45-42+.
What are the key properties of 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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?
19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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 has a molecular weight of 720.96 g/mol, XLogP of 15.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[12-[3-ethyl-4-(2-ethylphenyl)phenyl]benzo[10]annulen-5-yl]-23,23-dimethyl-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 is sourced from PubChem (CID 167022445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).