6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]

C50H38 — CID 168809005

IUPAC6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
SMILESc1ccc2c(c1)-c1c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc3ccccc3c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H38/c1-2-12-33-28-35(22-21-32(33)11-1)46-39-15-5-7-17-41(39)47(42-18-8-6-16-40(42)46)44-29-34-13-3-4-14-38(34)49-48(44)43-19-9-10-20-45(43)50(49)36-24-30-23-31(26-36)27-37(50)25-30/h1-22,28-31,36-37H,23-27H2
InChIKeyKCKJNNUHBKETHK-UHFFFAOYSA-N
MW638.85 g/mol
LogP13.36
Rot. Bonds2

About 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]

6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene] (PubChem CID 168809005) has the molecular formula C50H38 and a molecular weight of 638.85 g/mol. Its IUPAC name is 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene].

Molecular Properties

Compound Name6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
PubChem CID168809005
Molecular FormulaC50H38
Molecular Weight638.85 g/mol
Exact Mass638.30
IUPAC Name6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
SMILESc1ccc2c(c1)-c1c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc3ccccc3c1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H38/c1-2-12-33-28-35(22-21-32(33)11-1)46-39-15-5-7-17-41(39)47(42-18-8-6-16-40(42)46)44-29-34-13-3-4-14-38(34)49-48(44)43-19-9-10-20-45(43)50(49)36-24-30-23-31(26-36)27-37(50)25-30/h1-22,28-31,36-37H,23-27H2
InChIKeyKCKJNNUHBKETHK-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

8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[adamantane-2,11'-benzo[a]fluorene]-6'-ylnaphthalen-2-yl)-1,3,5-triazine
CID 167353889
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 168808966
2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]
CID 164819176
7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 167353716
7-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)-1H-indole
CID 167165207
5'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808797
4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
CID 164819102

Frequently Asked Questions

What is the IUPAC name of 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
The IUPAC name of 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene] (CID 168809005) is 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene].
What is the SMILES notation for 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
The canonical SMILES for 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene] is c1ccc2c(c1)-c1c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc3ccccc3c1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
The InChIKey is KCKJNNUHBKETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38/c1-2-12-33-28-35(22-21-32(33)11-1)46-39-15-5-7-17-41(39)47(42-18-8-6-16-40(42)46)44-29-34-13-3-4-14-38(34)49-48(44)43-19-9-10-20-45(43)50(49)36-24-30-23-31(26-36)27-37(50)25-30/h1-22,28-31,36-37H,23-27H2.
What are the key properties of 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]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 6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene] is sourced from PubChem (CID 168809005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).