5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene

C54H42 — CID 140736051

IUPAC5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
SMILESCc1c(C)c2cc3c(cc2c2cc4c(cc12)-c1c(cc(-c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccccc2)c2ccccc2c1-3
InChIInChI=1S/C54H42/c1-31-32(2)40-26-46-48(54(5,6)50-28-42(34-19-11-8-12-20-34)36-22-14-16-24-38(36)52(46)50)30-44(40)43-29-47-45(25-39(31)43)51-37-23-15-13-21-35(37)41(27-49(51)53(47,3)4)33-17-9-7-10-18-33/h7-30H,1-6H3
InChIKeyFMUQEASIXYHEIS-UHFFFAOYSA-N
MW690.93 g/mol
LogP14.86
Rot. Bonds2

About 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene

5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene (PubChem CID 140736051) has the molecular formula C54H42 and a molecular weight of 690.93 g/mol. Its IUPAC name is 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene.

Molecular Properties

Compound Name5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
PubChem CID140736051
Molecular FormulaC54H42
Molecular Weight690.93 g/mol
Exact Mass690.33
IUPAC Name5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
SMILESCc1c(C)c2cc3c(cc2c2cc4c(cc12)-c1c(cc(-c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccccc2)c2ccccc2c1-3
InChIInChI=1S/C54H42/c1-31-32(2)40-26-46-48(54(5,6)50-28-42(34-19-11-8-12-20-34)36-22-14-16-24-38(36)52(46)50)30-44(40)43-29-47-45(25-39(31)43)51-37-23-15-13-21-35(37)41(27-49(51)53(47,3)4)33-17-9-7-10-18-33/h7-30H,1-6H3
InChIKeyFMUQEASIXYHEIS-UHFFFAOYSA-N
XLogP14.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.93
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene with MolForge

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Related Compounds

5,5,19,20,34,34-hexamethyl-8-phenyl-31-(8-phenyl-9H-fluoren-1-yl)nonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene
CID 140736036
4-(5,5,19,19,33,33-hexamethyl-30-pyridin-4-yl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl)pyridine
CID 90297495
9-[7-(12,12-dimethyl-15-phenyl-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)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
2,5-bis(12,12,22,22-tetramethyl-9-phenyl-19-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-undecaenyl)thiophene
CID 134271458
11-(7,7-dimethylbenzo[g]fluoren-9-yl)-14,14-dimethylheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene
CID 171742700
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151610
5,5,19,19,33,33-hexamethyl-8,30-bis[4-(trifluoromethyl)phenyl]nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 90297078
9-(12,12-dimethyl-15-naphthalen-1-yl-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-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479675
10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 143953159
9-(9,9-dimethylfluoren-2-yl)-15-[4-[15-(9,9-dimethylfluoren-2-yl)-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]phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479671
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029

Frequently Asked Questions

What is the IUPAC name of 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?
The IUPAC name of 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene (CID 140736051) is 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene.
What is the SMILES notation for 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?
The canonical SMILES for 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene is Cc1c(C)c2cc3c(cc2c2cc4c(cc12)-c1c(cc(-c2ccccc2)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2ccccc2)c2ccccc2c1-3.
What is the InChIKey of 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?
The InChIKey is FMUQEASIXYHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42/c1-31-32(2)40-26-46-48(54(5,6)50-28-42(34-19-11-8-12-20-34)36-22-14-16-24-38(36)52(46)50)30-44(40)43-29-47-45(25-39(31)43)51-37-23-15-13-21-35(37)41(27-49(51)53(47,3)4)33-17-9-7-10-18-33/h7-30H,1-6H3.
What are the key properties of 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene?
5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene has a molecular weight of 690.93 g/mol, XLogP of 14.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,19,20,34,34-hexamethyl-8,31-diphenylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(36),2,4(16),6(15),7,9,11,13,17,19,21,23(35),24(33),25,27,29,31-heptadecaene is sourced from PubChem (CID 140736051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).