8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]

C50H38 — CID 168808880

IUPAC8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
SMILESc1cc2c(c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c1)C1(c3ccc4ccccc4c3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H38/c1-3-14-36-32(11-1)13-9-20-38(36)46-39-16-5-7-18-41(39)47(42-19-8-6-17-40(42)46)43-21-10-22-44-48-37-15-4-2-12-33(37)23-24-45(48)50(49(43)44)34-26-30-25-31(28-34)29-35(50)27-30/h1-24,30-31,34-35H,25-29H2
InChIKeyJAUMPERPWODXRS-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.36
Rot. Bonds2

About 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]

8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene] (PubChem CID 168808880) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene].

Molecular Properties

Compound Name8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
PubChem CID168808880
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
SMILESc1cc2c(c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c1)C1(c3ccc4ccccc4c3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H38/c1-3-14-36-32(11-1)13-9-20-38(36)46-39-16-5-7-18-41(39)47(42-19-8-6-17-40(42)46)43-21-10-22-44-48-37-15-4-2-12-33(37)23-24-45(48)50(49(43)44)34-26-30-25-31(28-34)29-35(50)27-30/h1-24,30-31,34-35H,25-29H2
InChIKeyJAUMPERPWODXRS-UHFFFAOYSA-N
XLogP13.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.85
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylanthracen-9-yl)dibenzofuran
CID 167009001
spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 162698475
2,4-diphenyl-6-[3-(3-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353965
4'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808869
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-(4-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)-1,3,5-triazine
CID 167353660
4,4,5,5-tetramethyl-2-spiro[adamantane-2,7'-benzo[c]fluorene]-10'-yl-1,3,2-dioxaborolane
CID 167353581
8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 167353716
2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808964
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808914
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718

Frequently Asked Questions

What is the IUPAC name of 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]?
The IUPAC name of 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene] (CID 168808880) is 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene].
What is the SMILES notation for 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]?
The canonical SMILES for 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene] is c1cc2c(c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c1)C1(c3ccc4ccccc4c3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]?
The InChIKey is JAUMPERPWODXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-3-14-36-32(11-1)13-9-20-38(36)46-39-16-5-7-18-41(39)47(42-19-8-6-17-40(42)46)43-21-10-22-44-48-37-15-4-2-12-33(37)23-24-45(48)50(49(43)44)34-26-30-25-31(28-34)29-35(50)27-30/h1-24,30-31,34-35H,25-29H2.
What are the key properties of 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]?
8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene] has a molecular weight of 638.85 g/mol, XLogP of 13.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene] is sourced from PubChem (CID 168808880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).