tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene

C164H190 — CID 165097795

About tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene

tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene (PubChem CID 165097795) has the molecular formula C164H190 and a molecular weight of 2161.32 g/mol. Its IUPAC name is tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene.

Molecular Properties

• Compound Name: tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene
• PubChem CID: 165097795
• Molecular Formula: C164H190
• Molecular Weight: 2161.32 g/mol
• Exact Mass: 2159.49
• IUPAC Name: tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene
• SMILES: CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1
• InChI: InChI=1S/3C19H16.3C19H20.C14H10.C10H8.4C5H12.C4H10.C2H6/c1-19(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;3*1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-10-8-4-3-7-9(10)5-1;4*1-5(2,3)4;1-4(2)3;1-2/h3*3-12H,1-2H3;3*5-12H,1-4H3;1-10H;1-8H;4*1-4H3;4H,1-3H3;1-2H3
• InChIKey: XUNSUSQEFQHZOM-UHFFFAOYSA-N
• XLogP: 49.97
• TPSA: 0.00 Ų
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2161.32
LogP ≤ 5	49.97
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 tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene?

The IUPAC name of tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene (CID 165097795) is tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene.

What is the SMILES notation for tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene?

The canonical SMILES for tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene is CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CC1(C)c2ccccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccc3ccccc3c21.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.Cc1c2ccccc2c(C(C)(C)C)c2ccccc12.c1ccc2c(c1)ccc1ccccc12.c1ccc2ccccc2c1.

What is the InChIKey of tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene?

The InChIKey is XUNSUSQEFQHZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H16.3C19H20.C14H10.C10H8.4C5H12.C4H10.C2H6/c1-19(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;3*1-13-14-9-5-7-11-16(14)18(19(2,3)4)17-12-8-6-10-15(13)17;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-10-8-4-3-7-9(10)5-1;4*1-5(2,3)4;1-4(2)3;1-2/h3*3-12H,1-2H3;3*5-12H,1-4H3;1-10H;1-8H;4*1-4H3;4H,1-3H3;1-2H3.

What are the key properties of tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene?

tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene has a molecular weight of 2161.32 g/mol, XLogP of 49.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tris(9-tert-butyl-10-methylanthracene);11,11-dimethylbenzo[a]fluorene;11,11-dimethylbenzo[b]fluorene;7,7-dimethylbenzo[c]fluorene;tetrakis(2,2-dimethylpropane);ethane;2-methylpropane;naphthalene;phenanthrene is sourced from PubChem (CID 165097795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).