1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine

C94H60N2 — CID 130316362

About 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine

1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine (PubChem CID 130316362) has the molecular formula C94H60N2 and a molecular weight of 1217.53 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine.

Molecular Properties

• Compound Name: 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
• PubChem CID: 130316362
• Molecular Formula: C94H60N2
• Molecular Weight: 1217.53 g/mol
• Exact Mass: 1216.48
• IUPAC Name: 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc5cc(-c6nc7ccccc7c7c6cc(-c6ccc8c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-8)c6ccccc67)ccc45)cc4nc(-c5ccc6ccccc6c5)c5ccc6ccccc6c5c34)cc21
• InChI: InChI=1S/C94H60N2/c1-93(2)82-37-18-15-32-72(82)74-47-44-62(53-84(74)93)80-52-65(55-87-90(80)89-70-30-12-11-23-58(70)42-49-78(89)91(96-87)63-41-40-57-22-9-10-24-59(57)50-63)68-36-21-25-60-51-64(45-46-69(60)68)92-81-56-79(71-31-13-14-34-76(71)88(81)77-35-17-20-39-86(77)95-92)61-43-48-75-73-33-16-19-38-83(73)94(85(75)54-61,66-26-5-3-6-27-66)67-28-7-4-8-29-67/h3-56H,1-2H3
• InChIKey: XWOVOCDXPXEBCU-UHFFFAOYSA-N
• XLogP: 24.71
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1217.53
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?

The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine (CID 130316362) is 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine.

What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?

The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc5cc(-c6nc7ccccc7c7c6cc(-c6ccc8c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-8)c6ccccc67)ccc45)cc4nc(-c5ccc6ccccc6c5)c5ccc6ccccc6c5c34)cc21.

What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?

The InChIKey is XWOVOCDXPXEBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N2/c1-93(2)82-37-18-15-32-72(82)74-47-44-62(53-84(74)93)80-52-65(55-87-90(80)89-70-30-12-11-23-58(70)42-49-78(89)91(96-87)63-41-40-57-22-9-10-24-59(57)50-63)68-36-21-25-60-51-64(45-46-69(60)68)92-81-56-79(71-31-13-14-34-76(71)88(81)77-35-17-20-39-86(77)95-92)61-43-48-75-73-33-16-19-38-83(73)94(85(75)54-61,66-26-5-3-6-27-66)67-28-7-4-8-29-67/h3-56H,1-2H3.

What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine?

1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine has a molecular weight of 1217.53 g/mol, XLogP of 24.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethylfluoren-2-yl)-3-[6-[8-(9,9-diphenylfluoren-2-yl)benzo[k]phenanthridin-6-yl]naphthalen-1-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine is sourced from PubChem (CID 130316362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).