13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene

C52H34 — CID 140722799

IUPAC13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene
SMILESCc1cc2c3c(c(C)cc4c3c1-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-4)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C52H34/c1-31-30-42-50-44(52-46(36-23-13-6-14-24-36)40-26-16-15-25-39(40)45(51(42)52)35-21-11-5-12-22-35)32(2)29-41-47-37(33-17-7-3-8-18-33)27-28-38(34-19-9-4-10-20-34)48(47)43(31)49(41)50/h3-30H,1-2H3
InChIKeyDAXWLJVWAZLCJJ-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.57
Rot. Bonds4

About 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene

13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene (PubChem CID 140722799) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene.

Molecular Properties

Compound Name13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene
PubChem CID140722799
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene
SMILESCc1cc2c3c(c(C)cc4c3c1-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-4)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C52H34/c1-31-30-42-50-44(52-46(36-23-13-6-14-24-36)40-26-16-15-25-39(40)45(51(42)52)35-21-11-5-12-22-35)32(2)29-41-47-37(33-17-7-3-8-18-33)27-28-38(34-19-9-4-10-20-34)48(47)43(31)49(41)50/h3-30H,1-2H3
InChIKeyDAXWLJVWAZLCJJ-UHFFFAOYSA-N
XLogP14.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene with MolForge

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Related Compounds

2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
3,5,8,10,17,24-hexakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722791
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
3,5,8,10,17-pentakis-phenyl-24-(2-phenylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4,6,8,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 140722698
3,6,7,10,17,20,21,24-octakis-phenyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 140722746
3,7,14,21,28,32,39,46-octakis(4-methylphenyl)pentadecacyclo[35.13.2.29,12.02,33.04,31.06,29.08,27.010,26.011,23.013,22.015,20.034,51.038,47.040,45.048,52]tetrapentaconta-1(51),2,4,6(29),7,9,11,13,15,17,19,21,23,25,27,30,32,34,36,38,40,42,44,46,48(52),49,53-heptacosaene
CID 140722712
7,12-diphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]benzo[k]fluoranthene
CID 58535128
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
21-(2,6-dimethylphenyl)-7,10-diphenyl-28-(2-phenylphenyl)decacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31,35-octadecaene
CID 59642834

Frequently Asked Questions

What is the IUPAC name of 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene?
The IUPAC name of 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene (CID 140722799) is 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene.
What is the SMILES notation for 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene?
The canonical SMILES for 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene is Cc1cc2c3c(c(C)cc4c3c1-c1c(-c3ccccc3)ccc(-c3ccccc3)c1-4)-c1c-2c(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene?
The InChIKey is DAXWLJVWAZLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-31-30-42-50-44(52-46(36-23-13-6-14-24-36)40-26-16-15-25-39(40)45(51(42)52)35-21-11-5-12-22-35)32(2)29-41-47-37(33-17-7-3-8-18-33)27-28-38(34-19-9-4-10-20-34)48(47)43(31)49(41)50/h3-30H,1-2H3.
What are the key properties of 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene?
13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene has a molecular weight of 658.84 g/mol, XLogP of 14.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,23-dimethyl-3,10,17,20-tetraphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(24),2,4,6,8,10,12(25),13,15(26),16,18,20,22-tridecaene is sourced from PubChem (CID 140722799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).