4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene

C41H26 — CID 122397291

IUPAC4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene
SMILESCc1ccc2c(c1)c1c3cc(C)c(C)c4cccc(c43)c3c4ccccc4c4c5cccc6cccc(c65)c2c4c31
InChIInChI=1S/C41H26/c1-21-17-18-28-32(19-21)39-33-20-22(2)23(3)25-13-8-16-31(35(25)33)37-27-12-5-4-11-26(27)36-29-14-6-9-24-10-7-15-30(34(24)29)38(28)40(36)41(37)39/h4-20H,1-3H3
InChIKeyQRLMKWPAZNMNHZ-UHFFFAOYSA-N
MW518.66 g/mol
LogP11.87
Rot. Bonds

About 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene

4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene (PubChem CID 122397291) has the molecular formula C41H26 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene.

Molecular Properties

Compound Name4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene
PubChem CID122397291
Molecular FormulaC41H26
Molecular Weight518.66 g/mol
Exact Mass518.20
IUPAC Name4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene
SMILESCc1ccc2c(c1)c1c3cc(C)c(C)c4cccc(c43)c3c4ccccc4c4c5cccc6cccc(c65)c2c4c31
InChIInChI=1S/C41H26/c1-21-17-18-28-32(19-21)39-33-20-22(2)23(3)25-13-8-16-31(35(25)33)37-27-12-5-4-11-26(27)36-29-14-6-9-24-10-7-15-30(34(24)29)38(28)40(36)41(37)39/h4-20H,1-3H3
InChIKeyQRLMKWPAZNMNHZ-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
2-methylperylene;3-methylperylene
CID 157412879
16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
CID 59090434
2,9,10-trimethylperylene
CID 58193405
3,4-dimethylperylene
CID 20583839
12,23-dimethylheptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122390139
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
heptacyclo[15.9.1.118,22.02,7.09,27.010,15.026,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 22222732
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
1,2-dimethylpyrene;ethane
CID 143986089
29,41-diethyl-11,12,13,14,17,49-hexamethylpentadecacyclo[25.18.2.22,5.26,9.131,35.03,23.04,20.07,19.08,16.010,15.024,46.028,42.030,40.043,47.039,48]dopentaconta-1(46),2,4,6,8,10,12,14,16,18,20,22,24,26,28(42),29,31,33,35(48),36,38,40,43(47),44,49,51-hexacosaene
CID 163804299

Frequently Asked Questions

What is the IUPAC name of 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene?
The IUPAC name of 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene (CID 122397291) is 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene.
What is the SMILES notation for 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene?
The canonical SMILES for 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene is Cc1ccc2c(c1)c1c3cc(C)c(C)c4cccc(c43)c3c4ccccc4c4c5cccc6cccc(c65)c2c4c31.
What is the InChIKey of 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene?
The InChIKey is QRLMKWPAZNMNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26/c1-21-17-18-28-32(19-21)39-33-20-22(2)23(3)25-13-8-16-31(35(25)33)37-27-12-5-4-11-26(27)36-29-14-6-9-24-10-7-15-30(34(24)29)38(28)40(36)41(37)39/h4-20H,1-3H3.
What are the key properties of 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene?
4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene has a molecular weight of 518.66 g/mol, XLogP of 11.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,32-trimethyldecacyclo[16.16.2.12,6.119,23.011,35.012,17.028,36.029,34.010,38.027,37]octatriaconta-1(34),2(38),3,5,7,9,11(35),12,14,16,18(36),19,21,23(37),24,26,28,30,32-nonadecaene is sourced from PubChem (CID 122397291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).