anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene

C150H128 — CID 158487652

About anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene

anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene (PubChem CID 158487652) has the molecular formula C150H128 and a molecular weight of 1930.67 g/mol. Its IUPAC name is anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene.

Molecular Properties

• Compound Name: anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene
• PubChem CID: 158487652
• Molecular Formula: C150H128
• Molecular Weight: 1930.67 g/mol
• Exact Mass: 1929.00
• IUPAC Name: anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene
• SMILES: CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54.c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1
• InChI: InChI=1S/C42H28.2C26H14.C18H12.C14H10.C10H8.7C2H6/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;2*1-3-9-17-15(7-1)19-11-5-13-22-24-18-10-4-2-8-16(18)20-12-6-14-21(26(20)24)23(17)25(19)22;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;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;7*1-2/h1-28H;2*1-14H;1-12H;1-10H;1-8H;7*1-2H3
• InChIKey: HIHKSWPHBZNNFM-UHFFFAOYSA-N
• XLogP: 45.94
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1930.67
LogP ≤ 5	45.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene?

The IUPAC name of anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene (CID 158487652) is anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene.

What is the SMILES notation for anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene?

The canonical SMILES for anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene is CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54.c1ccc2c(c1)c1cccc3c4c5ccccc5c5cccc(c2c13)c54.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.

What is the InChIKey of anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene?

The InChIKey is HIHKSWPHBZNNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.2C26H14.C18H12.C14H10.C10H8.7C2H6/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;2*1-3-9-17-15(7-1)19-11-5-13-22-24-18-10-4-2-8-16(18)20-12-6-14-21(26(20)24)23(17)25(19)22;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;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;7*1-2/h1-28H;2*1-14H;1-12H;1-10H;1-8H;7*1-2H3.

What are the key properties of anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene?

anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene has a molecular weight of 1930.67 g/mol, XLogP of 45.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;ethane;naphthalene;rubicene;tetracene;5,6,11,12-tetraphenyltetracene is sourced from PubChem (CID 158487652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).