8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]

C56H42 — CID 168808718

IUPAC8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccc7ccccc7c5C65C6CC7CC(C6)CC5C7)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C56H42/c1-2-11-40-32-41(22-19-36(40)9-1)37-17-20-39(21-18-37)53-46-13-5-7-15-48(46)54(49-16-8-6-14-47(49)53)42-24-26-52-51(33-42)50-25-23-38-10-3-4-12-45(38)55(50)56(52)43-28-34-27-35(30-43)31-44(56)29-34/h1-26,32-35,43-44H,27-31H2
InChIKeyBJQHHQWAVDKFBK-UHFFFAOYSA-N
MW714.95 g/mol
LogP15.02
Rot. Bonds3

About 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]

8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene] (PubChem CID 168808718) has the molecular formula C56H42 and a molecular weight of 714.95 g/mol. Its IUPAC name is 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene].

Molecular Properties

Compound Name8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
PubChem CID168808718
Molecular FormulaC56H42
Molecular Weight714.95 g/mol
Exact Mass714.33
IUPAC Name8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccc7ccccc7c5C65C6CC7CC(C6)CC5C7)c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C56H42/c1-2-11-40-32-41(22-19-36(40)9-1)37-17-20-39(21-18-37)53-46-13-5-7-15-48(46)54(49-16-8-6-14-47(49)53)42-24-26-52-51(33-42)50-25-23-38-10-3-4-12-45(38)55(50)56(52)43-28-34-27-35(30-43)31-44(56)29-34/h1-26,32-35,43-44H,27-31H2
InChIKeyBJQHHQWAVDKFBK-UHFFFAOYSA-N
XLogP15.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.95
LogP ≤ 515.02
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-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
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
2-[4-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 168808994
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
CID 165001984
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]
CID 164819176
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
4-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808737
4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
4'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809012

Frequently Asked Questions

What is the IUPAC name of 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]?
The IUPAC name of 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene] (CID 168808718) is 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene].
What is the SMILES notation for 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]?
The canonical SMILES for 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene] is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccc7ccccc7c5C65C6CC7CC(C6)CC5C7)c5ccccc45)cc3)ccc2c1.
What is the InChIKey of 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]?
The InChIKey is BJQHHQWAVDKFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42/c1-2-11-40-32-41(22-19-36(40)9-1)37-17-20-39(21-18-37)53-46-13-5-7-15-48(46)54(49-16-8-6-14-47(49)53)42-24-26-52-51(33-42)50-25-23-38-10-3-4-12-45(38)55(50)56(52)43-28-34-27-35(30-43)31-44(56)29-34/h1-26,32-35,43-44H,27-31H2.
What are the key properties of 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]?
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene] has a molecular weight of 714.95 g/mol, XLogP of 15.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene] is sourced from PubChem (CID 168808718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).