10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

C60H38 — CID 164944426

IUPAC10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1cccc(C)c1-c1ccc2cc(-c3ccc4c5c(-c6ccccc6)c6cc7c8ccccc8c8cccc(c6c(-c6ccccc6)c5c5cccc3c45)c87)ccc2c1
InChIInChI=1S/C60H38/c1-35-14-11-15-36(2)53(35)42-29-27-39-32-41(28-26-40(39)33-42)43-30-31-50-56-46(43)22-12-25-49(56)60-55(38-18-7-4-8-19-38)58-48-24-13-23-47-44-20-9-10-21-45(44)51(57(47)48)34-52(58)54(59(50)60)37-16-5-3-6-17-37/h3-34H,1-2H3
InChIKeyDLIGNJVWLHBJPV-UHFFFAOYSA-N
MW758.96 g/mol
LogP17.07
Rot. Bonds4

About 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene

10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 164944426) has the molecular formula C60H38 and a molecular weight of 758.96 g/mol. Its IUPAC name is 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

Compound Name10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
PubChem CID164944426
Molecular FormulaC60H38
Molecular Weight758.96 g/mol
Exact Mass758.30
IUPAC Name10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
SMILESCc1cccc(C)c1-c1ccc2cc(-c3ccc4c5c(-c6ccccc6)c6cc7c8ccccc8c8cccc(c6c(-c6ccccc6)c5c5cccc3c45)c87)ccc2c1
InChIInChI=1S/C60H38/c1-35-14-11-15-36(2)53(35)42-29-27-39-32-41(28-26-40(39)33-42)43-30-31-50-56-46(43)22-12-25-49(56)60-55(38-18-7-4-8-19-38)58-48-24-13-23-47-44-20-9-10-21-45(44)51(57(47)48)34-52(58)54(59(50)60)37-16-5-3-6-17-37/h3-34H,1-2H3
InChIKeyDLIGNJVWLHBJPV-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.96
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(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
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
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
3,15-bis(2-methylphenyl)-8-phenyloctacyclo[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 168812662
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
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
8-(2,6-dimethylphenyl)-21,22-dimethyl-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(24),20,22,25(29),26-pentadecaene
CID 58068102
10-(2,6-dimethylphenyl)-3,15-bis(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 58068175
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
8,22-bis(2,6-dimethylphenyl)-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;22-(2,5-dimethylphenyl)-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(30),10,12,14,17,19(24),20,22,25(29),26-pentadecaene;8-(2,6-dimethylphenyl)-3,15,22-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(24),20,22,25(29),26-pentadecaene;10-(2,6-dimethylphenyl)-3,15,22-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(24),20,22,25(29),26-pentadecaene;3,15-diphenyl-8-(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 159927687
10-(2,6-dimethylfluoranthen-3-yl)-3,15-diphenyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2(16),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene
CID 58068182
2-(3,15-diphenyl-10-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-pentadecaenyl)-8-phenyldibenzothiophene
CID 164944459

Frequently Asked Questions

What is the IUPAC name of 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?
The IUPAC name of 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene (CID 164944426) is 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene.
What is the SMILES notation for 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?
The canonical SMILES for 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is Cc1cccc(C)c1-c1ccc2cc(-c3ccc4c5c(-c6ccccc6)c6cc7c8ccccc8c8cccc(c6c(-c6ccccc6)c5c5cccc3c45)c87)ccc2c1.
What is the InChIKey of 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?
The InChIKey is DLIGNJVWLHBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38/c1-35-14-11-15-36(2)53(35)42-29-27-39-32-41(28-26-40(39)33-42)43-30-31-50-56-46(43)22-12-25-49(56)60-55(38-18-7-4-8-19-38)58-48-24-13-23-47-44-20-9-10-21-45(44)51(57(47)48)34-52(58)54(59(50)60)37-16-5-3-6-17-37/h3-34H,1-2H3.
What are the key properties of 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene?
10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 758.96 g/mol, XLogP of 17.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(2,6-dimethylphenyl)naphthalen-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),3,5,7,9,11,13(30),14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 164944426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).