2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene

C109H84 — CID 160654407

IUPAC2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene
SMILESCC1(c2ccc3ccccc3c2)c2cccc3ccc4cccc1c4c23.CC1(c2ccccc2)c2ccccc2-c2cccc3cccc1c23.CC1(c2ccccc2)c2ccccc2-c2cccc3cccc1c23.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C26H18.2C24H18.C17H12.C11H10.C7H8/c1-26(21-15-14-17-6-2-3-7-20(17)16-21)22-10-4-8-18-12-13-19-9-5-11-23(26)25(19)24(18)22;2*1-24(18-11-3-2-4-12-18)21-15-6-5-13-19(21)20-14-7-9-17-10-8-16-22(24)23(17)20;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h2-16H,1H3;2*2-16H,1H3;2-10H,1H3;2-8H,1H3;2-6H,1H3
InChIKeyRKVVRZHYOAOJSW-UHFFFAOYSA-N
MW1393.87 g/mol
LogP29.20
Rot. Bonds3

About 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene

2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene (PubChem CID 160654407) has the molecular formula C109H84 and a molecular weight of 1393.87 g/mol. Its IUPAC name is 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene.

Molecular Properties

Compound Name2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene
PubChem CID160654407
Molecular FormulaC109H84
Molecular Weight1393.87 g/mol
Exact Mass1392.66
IUPAC Name2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene
SMILESCC1(c2ccc3ccccc3c2)c2cccc3ccc4cccc1c4c23.CC1(c2ccccc2)c2ccccc2-c2cccc3cccc1c23.CC1(c2ccccc2)c2ccccc2-c2cccc3cccc1c23.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1ccc2ccccc2c1.Cc1ccccc1
InChIInChI=1S/C26H18.2C24H18.C17H12.C11H10.C7H8/c1-26(21-15-14-17-6-2-3-7-20(17)16-21)22-10-4-8-18-12-13-19-9-5-11-23(26)25(19)24(18)22;2*1-24(18-11-3-2-4-12-18)21-15-6-5-13-19(21)20-14-7-9-17-10-8-16-22(24)23(17)20;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h2-16H,1H3;2*2-16H,1H3;2-10H,1H3;2-8H,1H3;2-6H,1H3
InChIKeyRKVVRZHYOAOJSW-UHFFFAOYSA-N
XLogP29.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.87
LogP ≤ 529.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene 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

9,9-dimethylfluorene;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];toluene
CID 161053096
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
butane;2,2-dimethylpropane;ethane;1-methylnaphthalene;2-methylnaphthalene;9-methyl-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];propane;toluene;2,9,9-trimethylfluorene
CID 160827106
9,9-bis(4-methylphenyl)fluorene;1,7-dimethylnaphthalene;2,3-dimethylnaphthalene;2,7-dimethylnaphthalene
CID 160966642
3-methylphenanthrene;1-methylpyrene;2-methylpyrene;2-methyltriphenylene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
CID 157157152
9,17-dimethyl-9,17-diphenyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3,5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene
CID 144531002
9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
CID 91155116
(2-bromo-9-methyl-9-naphthalen-2-ylfluoren-3-yl)boronic acid
CID 169023399
methanamine;3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;toluene
CID 143980770
2-methylanthracene;9-methylanthracene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;2-methylphenanthrene;9-methylphenanthrene;9-methyl-10-phenylanthracene;9-(3-methylphenyl)-9-phenylfluorene;9-(4-methylphenyl)-9-phenylfluorene;1-methylpyrene;2-methylpyrene;2-methyl-9,9'-spirobi[fluorene];2-methyltriphenylene
CID 157342498
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
1-methylnaphthalene;2-methylnaphthalene;1-methylphenanthrene;2-methylphenanthrene;4-methylphenanthrene;9-methylphenanthrene;toluene
CID 161242482

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene?
The IUPAC name of 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene (CID 160654407) is 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene.
What is the SMILES notation for 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene?
The canonical SMILES for 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene is CC1(c2ccc3ccccc3c2)c2cccc3ccc4cccc1c4c23.CC1(c2ccccc2)c2ccccc2-c2cccc3cccc1c23.CC1(c2ccccc2)c2ccccc2-c2cccc3cccc1c23.Cc1ccc2ccc3cccc4ccc1c2c34.Cc1ccc2ccccc2c1.Cc1ccccc1.
What is the InChIKey of 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene?
The InChIKey is RKVVRZHYOAOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18.2C24H18.C17H12.C11H10.C7H8/c1-26(21-15-14-17-6-2-3-7-20(17)16-21)22-10-4-8-18-12-13-19-9-5-11-23(26)25(19)24(18)22;2*1-24(18-11-3-2-4-12-18)21-15-6-5-13-19(21)20-14-7-9-17-10-8-16-22(24)23(17)20;1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h2-16H,1H3;2*2-16H,1H3;2-10H,1H3;2-8H,1H3;2-6H,1H3.
What are the key properties of 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene?
2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene has a molecular weight of 1393.87 g/mol, XLogP of 29.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene;15-methyl-15-naphthalen-2-yltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene;bis(7-methyl-7-phenylbenzo[a]phenalene);1-methylpyrene;toluene is sourced from PubChem (CID 160654407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).