7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene

C55H34 — CID 58068262

IUPAC7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1cc2cccc3c4c(-c5ccccc5)c5cc6c7c(-c8ccccc8)ccc(-c8ccccc8)c7c7cccc(c5c(-c5ccccc5)c4c(c1)c23)c76
InChIInChI=1S/C55H34/c1-33-30-38-24-14-25-41-47(38)44(31-33)55-49(37-22-12-5-13-23-37)53-43-27-15-26-42-50(43)46(32-45(53)48(54(41)55)36-20-10-4-11-21-36)52-40(35-18-8-3-9-19-35)29-28-39(51(42)52)34-16-6-2-7-17-34/h2-32H,1H3
InChIKeyJFAQVAPRNLNBRZ-UHFFFAOYSA-N
MW694.88 g/mol
LogP15.61
Rot. Bonds4

About 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene

7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 58068262) has the molecular formula C55H34 and a molecular weight of 694.88 g/mol. Its IUPAC name is 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

Compound Name7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene
PubChem CID58068262
Molecular FormulaC55H34
Molecular Weight694.88 g/mol
Exact Mass694.27
IUPAC Name7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1cc2cccc3c4c(-c5ccccc5)c5cc6c7c(-c8ccccc8)ccc(-c8ccccc8)c7c7cccc(c5c(-c5ccccc5)c4c(c1)c23)c76
InChIInChI=1S/C55H34/c1-33-30-38-24-14-25-41-47(38)44(31-33)55-49(37-22-12-5-13-23-37)53-43-27-15-26-42-50(43)46(32-45(53)48(54(41)55)36-20-10-4-11-21-36)52-40(35-18-8-3-9-19-35)29-28-39(51(42)52)34-16-6-2-7-17-34/h2-32H,1H3
InChIKeyJFAQVAPRNLNBRZ-UHFFFAOYSA-N
XLogP15.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.88
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene with MolForge

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Related Compounds

3,10,15,20,23-pentakis-phenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068216
4,9-dimethyl-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19,21,23-tridecaene;8-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3,5,7,9,11(26),13,15,17,19,21,23-tridecaene;13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19,21,23-tridecaene;23-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3,5,7(26),8,10,13,15,17,19(24),20,22-tridecaene
CID 159143720
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 58068171
8-(2,6-dimethylphenyl)-3,19-diphenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5(34),6,8,10,12,14,16,19,21,23,25(33),26,28,30-heptadecaene
CID 123301844
3,19-diphenylundecacyclo[19.19.1.15,9.02,20.04,18.010,15.023,36.024,29.030,35.037,41.016,42]dotetraconta-1(40),2,4(18),5,7,9(42),10,12,14,16,19,21(41),22,24,26,28,30,32,34,36,38-henicosaene
CID 142318881
3,15-diphenyl-10-(2-phenylnaphthalen-1-yl)octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068268
3,7,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene;3,11,15-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene;3,15,21-triphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 159009907
6,9-bis(2,6-dimethylphenyl)-20,23-diphenyloctacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1,3,5,7,9,11,13,15(30),16,18(29),19,21,23,25,27-pentadecaene
CID 123260082
3,10,19-triphenylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7(34),8,10,12,14,16,19,21,23,25,27,29(33),30-heptadecaene
CID 58470850
8,22-bis(4-tert-butyl-2,6-dimethylphenyl)-11-methyl-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5(30),6,8,10,12,14,17,19(24),20,22,25(29),26-pentadecaene
CID 58068341
6,9-bis(2-methylphenyl)-20,27-diphenylnonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(33),2,4(34),5,7,9,11,13,15,17,19,21,23,25,27,29,31-heptadecaene;ethane
CID 143896956
5-methyl-30,32-diphenyl-25-(2-phenylphenyl)undecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27,29,31,33,35(38)-icosaene;5-methyl-23,25-diphenylundecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(37),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24,26(36),27,29,31(38),32,34-icosaene;5-methyl-30-phenyl-25-(2-phenylphenyl)undecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27(38),28,30,32,34-icosaene;5-methyl-25-(2-phenylphenyl)undecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27,29,31(38),32,34-icosaene;5-methyl-23,25,30,32-tetraphenylundecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27,29,31,33,35(38)-icosaene;5-methyl-23,25,30-triphenylundecacyclo[22.12.1.12,6.113,17.127,31.011,37.012,22.026,36.010,40.021,39.035,38]tetraconta-1(36),2(40),3,5,7,9,11,13,15,17(39),18,20,22,24(37),25,27(38),28,30,32,34-icosaene
CID 159256172

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene?
The IUPAC name of 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene (CID 58068262) is 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene.
What is the SMILES notation for 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene?
The canonical SMILES for 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene is Cc1cc2cccc3c4c(-c5ccccc5)c5cc6c7c(-c8ccccc8)ccc(-c8ccccc8)c7c7cccc(c5c(-c5ccccc5)c4c(c1)c23)c76.
What is the InChIKey of 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene?
The InChIKey is JFAQVAPRNLNBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34/c1-33-30-38-24-14-25-41-47(38)44(31-33)55-49(37-22-12-5-13-23-37)53-43-27-15-26-42-50(43)46(32-45(53)48(54(41)55)36-20-10-4-11-21-36)52-40(35-18-8-3-9-19-35)29-28-39(51(42)52)34-16-6-2-7-17-34/h2-32H,1H3.
What are the key properties of 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene?
7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 694.88 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,15,20,23-tetraphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9(30),10,12,14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 58068262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).