anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene

C109H88 — CID 159089276

About anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene

anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene (PubChem CID 159089276) has the molecular formula C109H88 and a molecular weight of 1397.90 g/mol. Its IUPAC name is anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene.

Molecular Properties

• Compound Name: anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene
• PubChem CID: 159089276
• Molecular Formula: C109H88
• Molecular Weight: 1397.90 g/mol
• Exact Mass: 1396.69
• IUPAC Name: anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene
• SMILES: C.Cc1ccc(C)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
• InChI: InChI=1S/C18H12.C18H14.2C14H10.2C13H10.C10H8.C8H10.CH4/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;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;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(2)6-4-7;/h1-12H;1-14H;2*1-10H;2*1-8H,9H2;1-8H;3-6H,1-2H3;1H4
• InChIKey: KBVRYAQUKIVXIX-UHFFFAOYSA-N
• XLogP: 30.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1397.90
LogP ≤ 5	30.45
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;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene?

The IUPAC name of anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene (CID 159089276) is anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene.

What is the SMILES notation for anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene?

The canonical SMILES for anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene is C.Cc1ccc(C)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.

What is the InChIKey of anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene?

The InChIKey is KBVRYAQUKIVXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C18H14.2C14H10.2C13H10.C10H8.C8H10.CH4/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;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;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-3-5-8(2)6-4-7;/h1-12H;1-14H;2*1-10H;2*1-8H,9H2;1-8H;3-6H,1-2H3;1H4.

What are the key properties of anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene?

anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene has a molecular weight of 1397.90 g/mol, XLogP of 30.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene is sourced from PubChem (CID 159089276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).