12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

C51H38 — CID 123564462

IUPAC12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
SMILESCc1ccc(-c2ccc(C#Cc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)c3ccccc23)c2ccccc12
InChIInChI=1S/C51H38/c1-31-18-24-40(38-16-10-8-13-35(31)38)41-26-22-34(36-14-9-11-17-39(36)41)21-19-32-20-25-42-43-29-48-44(30-47(43)51(4,5)46(42)28-32)49-37-15-7-6-12-33(37)23-27-45(49)50(48,2)3/h6-18,20,22-30H,1-5H3
InChIKeyGYCOWQDJVHYBLU-UHFFFAOYSA-N
MW650.87 g/mol
LogP13.13
Rot. Bonds1

About 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene

12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (PubChem CID 123564462) has the molecular formula C51H38 and a molecular weight of 650.87 g/mol. Its IUPAC name is 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.

Molecular Properties

Compound Name12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
PubChem CID123564462
Molecular FormulaC51H38
Molecular Weight650.87 g/mol
Exact Mass650.30
IUPAC Name12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
SMILESCc1ccc(-c2ccc(C#Cc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)c3ccccc23)c2ccccc12
InChIInChI=1S/C51H38/c1-31-18-24-40(38-16-10-8-13-35(31)38)41-26-22-34(36-14-9-11-17-39(36)41)21-19-32-20-25-42-43-29-48-44(30-47(43)51(4,5)46(42)28-32)49-37-15-7-6-12-33(37)23-27-45(49)50(48,2)3/h6-18,20,22-30H,1-5H3
InChIKeyGYCOWQDJVHYBLU-UHFFFAOYSA-N
XLogP13.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.87
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806
1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 143607892
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.05,14.07,12.019,31.020,29.021,26]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),20(29),21,23,25,27-pentadecaene
CID 58261394
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,15-trimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479668
3,4-dimethyl-2,5-bis(12,12,16,16-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaenyl)furan
CID 122580507
25,25-dimethylhexacyclo[12.11.0.03,12.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742057
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
7,7-dimethyl-10-propan-2-ylbenzo[c]fluorene
CID 140704515
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561

Frequently Asked Questions

What is the IUPAC name of 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The IUPAC name of 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene (CID 123564462) is 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene.
What is the SMILES notation for 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The canonical SMILES for 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is Cc1ccc(-c2ccc(C#Cc3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccc4ccccc4c3-5)c3ccccc23)c2ccccc12.
What is the InChIKey of 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
The InChIKey is GYCOWQDJVHYBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38/c1-31-18-24-40(38-16-10-8-13-35(31)38)41-26-22-34(36-14-9-11-17-39(36)41)21-19-32-20-25-42-43-29-48-44(30-47(43)51(4,5)46(42)28-32)49-37-15-7-6-12-33(37)23-27-45(49)50(48,2)3/h6-18,20,22-30H,1-5H3.
What are the key properties of 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene?
12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene has a molecular weight of 650.87 g/mol, XLogP of 13.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,22,22-tetramethyl-19-[2-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]ethynyl]hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene is sourced from PubChem (CID 123564462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).