3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline

C122H73N3O3 — CID 146343016

About 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline

3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline (PubChem CID 146343016) has the molecular formula C122H73N3O3 and a molecular weight of 1628.94 g/mol. Its IUPAC name is 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline.

Molecular Properties

• Compound Name: 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline
• PubChem CID: 146343016
• Molecular Formula: C122H73N3O3
• Molecular Weight: 1628.94 g/mol
• Exact Mass: 1627.57
• IUPAC Name: 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline
• SMILES: c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)cc5c(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7c(-c8cccc9c8Oc8ccc(-c%10ccc(-c%11ccccc%11)c%11cnccc%10%11)cc8C98c9ccccc9-c9ccccc98)cccc76)cccc45)c3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1
• InChI: InChI=1S/C122H73N3O3/c1-4-29-74(30-5-1)81-70-109(124-110(71-81)79-60-64-114-108(69-79)120(102-52-20-22-57-112(102)126-114)97-47-15-10-37-86(97)87-38-11-16-48-98(87)120)78-35-24-36-80(67-78)117-91-44-25-42-84(95(91)72-111(125-117)76-33-8-3-9-34-76)92-45-27-56-106-118(92)127-113-58-23-21-53-103(113)122(106)101-51-19-14-41-94(101)116-90(43-26-54-104(116)122)93-46-28-55-105-119(93)128-115-63-59-77(83-62-61-82(75-31-6-2-7-32-75)96-73-123-66-65-85(83)96)68-107(115)121(105)99-49-17-12-39-88(99)89-40-13-18-50-100(89)121/h1-73H
• InChIKey: CAERIIZPJXKQKW-UHFFFAOYSA-N
• XLogP: 30.59
• TPSA: 66.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1628.94
LogP ≤ 5	30.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline?

The IUPAC name of 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline (CID 146343016) is 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline.

What is the SMILES notation for 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline?

The canonical SMILES for 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)cc5c(-c6cccc7c6Oc6ccccc6C76c7ccccc7-c7c(-c8cccc9c8Oc8ccc(-c%10ccc(-c%11ccccc%11)c%11cnccc%10%11)cc8C98c9ccccc9-c9ccccc98)cccc76)cccc45)c3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c2)cc1.

What is the InChIKey of 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline?

The InChIKey is CAERIIZPJXKQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H73N3O3/c1-4-29-74(30-5-1)81-70-109(124-110(71-81)79-60-64-114-108(69-79)120(102-52-20-22-57-112(102)126-114)97-47-15-10-37-86(97)87-38-11-16-48-98(87)120)78-35-24-36-80(67-78)117-91-44-25-42-84(95(91)72-111(125-117)76-33-8-3-9-34-76)92-45-27-56-106-118(92)127-113-58-23-21-53-103(113)122(106)101-51-19-14-41-94(101)116-90(43-26-54-104(116)122)93-46-28-55-105-119(93)128-115-63-59-77(83-62-61-82(75-31-6-2-7-32-75)96-73-123-66-65-85(83)96)68-107(115)121(105)99-49-17-12-39-88(99)89-40-13-18-50-100(89)121/h1-73H.

What are the key properties of 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline?

3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline has a molecular weight of 1628.94 g/mol, XLogP of 30.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-5-[4-[7'-(8-phenylisoquinolin-5-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]-1-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-2-pyridinyl)phenyl]isoquinoline is sourced from PubChem (CID 146343016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).