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

C58H34 — CID 58068268

IUPAC3,15-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
SMILESc1ccc(-c2ccc3ccccc3c2-c2ccc3c4c(-c5ccccc5)c5cc6c7ccccc7c7cccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)cc1
InChIInChI=1S/C58H34/c1-4-16-35(17-5-1)40-31-30-36-18-10-11-23-39(36)53(40)45-32-33-48-54-44(45)27-15-29-47(54)58-52(38-21-8-3-9-22-38)56-46-28-14-26-43-41-24-12-13-25-42(41)49(55(43)46)34-50(56)51(57(48)58)37-19-6-2-7-20-37/h1-34H
InChIKeyUWMBKFDDHVIVSK-UHFFFAOYSA-N
MW730.91 g/mol
LogP16.46
Rot. Bonds4

About 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

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 (PubChem CID 58068268) has the molecular formula C58H34 and a molecular weight of 730.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,15-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
PubChem CID58068268
Molecular FormulaC58H34
Molecular Weight730.91 g/mol
Exact Mass730.27
IUPAC Name3,15-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
SMILESc1ccc(-c2ccc3ccccc3c2-c2ccc3c4c(-c5ccccc5)c5cc6c7ccccc7c7cccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)cc1
InChIInChI=1S/C58H34/c1-4-16-35(17-5-1)40-31-30-36-18-10-11-23-39(36)53(40)45-32-33-48-54-44(45)27-15-29-47(54)58-52(38-21-8-3-9-22-38)56-46-28-14-26-43-41-24-12-13-25-42(41)49(55(43)46)34-50(56)51(57(48)58)37-19-6-2-7-20-37/h1-34H
InChIKeyUWMBKFDDHVIVSK-UHFFFAOYSA-N
XLogP16.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3,15-diphenyl-10-(6-phenylnaphthalen-2-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 153419758
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
8-(6,8-diphenylnaphthalen-2-yl)-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),6,8,10,12,14,17,19,21,23,25(29),26-pentadecaene
CID 164944567
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
10-[2,6-bis(trideuteriomethyl)phenyl]-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 176846455
10,26-dinaphthalen-1-yl-3,19-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(29),2,4(18),5,7(30),8,10,12,14,16,19,21,23,25,27-pentadecaene
CID 123976899
8-(3,5-diphenylphenyl)-3-phenyl-15-(2-phenylphenyl)octacyclo[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 58068343
2-phenyl-19-(8-phenylnaphthalen-2-yl)hexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14(24),15,17,19,21-dodecaene
CID 59642436
10-(3,5-diphenylphenyl)-3-phenyl-15-(2-phenylphenyl)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 176760214
3-(3,15-diphenyl-8-octacyclo[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-pentadecaenyl)phenol
CID 89257518
3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene
CID 123989486
3,19-bis(4-phenylphenyl)tridecacyclo[22.17.2.225,28.15,9.02,20.04,18.010,15.021,42.026,38.027,35.029,34.039,43.016,46]hexatetraconta-1(41),2,4(18),5,7,9(46),10,12,14,16,19,21(42),22,24(43),25,27,29,31,33,35,37,39,44-tricosaene
CID 159461885

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3ccccc3c2-c2ccc3c4c(-c5ccccc5)c5cc6c7ccccc7c7cccc(c5c(-c5ccccc5)c4c4cccc2c34)c76)cc1.
What is the InChIKey of 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?
The InChIKey is UWMBKFDDHVIVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34/c1-4-16-35(17-5-1)40-31-30-36-18-10-11-23-39(36)53(40)45-32-33-48-54-44(45)27-15-29-47(54)58-52(38-21-8-3-9-22-38)56-46-28-14-26-43-41-24-12-13-25-42(41)49(55(43)46)34-50(56)51(57(48)58)37-19-6-2-7-20-37/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 730.91 g/mol, XLogP of 16.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58068268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).