anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene

C223H320 — CID 160876965

About anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene

anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene (PubChem CID 160876965) has the molecular formula C223H320 and a molecular weight of 3001.01 g/mol. Its IUPAC name is anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene.

Molecular Properties

• Compound Name: anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene
• PubChem CID: 160876965
• Molecular Formula: C223H320
• Molecular Weight: 3001.01 g/mol
• Exact Mass: 2998.50
• IUPAC Name: anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c3ccccc3ccc2c2ccccc12.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
• InChI: InChI=1S/C22H20.3C19H16.C15H14.2C14H10.C10H8.C6H6.17C5H12/c1-22(2,3)21-14-20-16-9-5-4-8-15(16)12-13-18(20)17-10-6-7-11-19(17)21;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-19(2)16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)11-12-17(18)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;17*1-5(2,3)4/h4-14H,1-3H3;3*3-12H,1-2H3;3-10H,1-2H3;2*1-10H;1-8H;1-6H;17*1-4H3
• InChIKey: SMNDTDXDUNZKCH-UHFFFAOYSA-N
• XLogP: 73.28
• TPSA: 0.00 Ų
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3001.01
LogP ≤ 5	73.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene?

The IUPAC name of anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene (CID 160876965) is anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene.

What is the SMILES notation for anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene?

The canonical SMILES for anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2c3ccccc3ccc2c2ccccc12.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2ccccc2-c2ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.

What is the InChIKey of anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene?

The InChIKey is SMNDTDXDUNZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20.3C19H16.C15H14.2C14H10.C10H8.C6H6.17C5H12/c1-22(2,3)21-14-20-16-9-5-4-8-15(16)12-13-18(20)17-10-6-7-11-19(17)21;1-19(2)17-10-6-5-9-15(17)16-11-13-7-3-4-8-14(13)12-18(16)19;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-19(2)16-10-6-5-9-15(16)18-14-8-4-3-7-13(14)11-12-17(18)19;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;17*1-5(2,3)4/h4-14H,1-3H3;3*3-12H,1-2H3;3-10H,1-2H3;2*1-10H;1-8H;1-6H;17*1-4H3.

What are the key properties of anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene?

anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene has a molecular weight of 3001.01 g/mol, XLogP of 73.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;benzene;6-tert-butylchrysene;11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;9,9-dimethylfluorene;heptadecakis(2,2-dimethylpropane);naphthalene;phenanthrene is sourced from PubChem (CID 160876965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).