9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole

C97H58N2 — CID 59236774

About 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole

9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole (PubChem CID 59236774) has the molecular formula C97H58N2 and a molecular weight of 1251.54 g/mol. Its IUPAC name is 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole
• PubChem CID: 59236774
• Molecular Formula: C97H58N2
• Molecular Weight: 1251.54 g/mol
• Exact Mass: 1250.46
• IUPAC Name: 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc4c3)ccc2-c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc4c3)cc21
• InChI: InChI=1S/C97H58N2/c1-3-19-73-71(17-1)57-95(81-25-7-5-21-75(73)81)98-91-31-15-11-27-83(91)85-53-67(43-47-93(85)98)63-37-33-61-51-65(39-35-59(61)49-63)69-41-45-79-80-46-42-70(56-90(80)97(89(79)55-69)87-29-13-9-23-77(87)78-24-10-14-30-88(78)97)66-40-36-60-50-64(38-34-62(60)52-66)68-44-48-94-86(54-68)84-28-12-16-32-92(84)99(94)96-58-72-18-2-4-20-74(72)76-22-6-8-26-82(76)96/h1-58H
• InChIKey: FSPRAHQVBMOXOG-UHFFFAOYSA-N
• XLogP: 25.81
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.54
LogP ≤ 5	25.81
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 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole?

The IUPAC name of 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole (CID 59236774) is 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole.

What is the SMILES notation for 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole?

The canonical SMILES for 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc4c3)ccc2-c2ccc(-c3ccc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc4c3)cc21.

What is the InChIKey of 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole?

The InChIKey is FSPRAHQVBMOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H58N2/c1-3-19-73-71(17-1)57-95(81-25-7-5-21-75(73)81)98-91-31-15-11-27-83(91)85-53-67(43-47-93(85)98)63-37-33-61-51-65(39-35-59(61)49-63)69-41-45-79-80-46-42-70(56-90(80)97(89(79)55-69)87-29-13-9-23-77(87)78-24-10-14-30-88(78)97)66-40-36-60-50-64(38-34-62(60)52-66)68-44-48-94-86(54-68)84-28-12-16-32-92(84)99(94)96-58-72-18-2-4-20-74(72)76-22-6-8-26-82(76)96/h1-58H.

What are the key properties of 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole?

9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole has a molecular weight of 1251.54 g/mol, XLogP of 25.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenanthren-9-yl-3-[6-[7'-[6-(9-phenanthren-9-ylcarbazol-3-yl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 59236774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).