2-naphthalen-1-yl-2-naphthalen-2-yladamantane

C30H28 — CID 162698501

IUPAC2-naphthalen-1-yl-2-naphthalen-2-yladamantane
SMILESc1ccc2cc(C3(c4cccc5ccccc45)C4CC5CC(C4)CC3C5)ccc2c1
InChIInChI=1S/C30H28/c1-2-8-24-19-25(13-12-22(24)6-1)30(26-15-20-14-21(17-26)18-27(30)16-20)29-11-5-9-23-7-3-4-10-28(23)29/h1-13,19-21,26-27H,14-18H2
InChIKeyFZBMEODSXQXSTI-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.74
Rot. Bonds2

About 2-naphthalen-1-yl-2-naphthalen-2-yladamantane

2-naphthalen-1-yl-2-naphthalen-2-yladamantane (PubChem CID 162698501) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-naphthalen-2-yladamantane.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-naphthalen-2-yladamantane
PubChem CID162698501
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name2-naphthalen-1-yl-2-naphthalen-2-yladamantane
SMILESc1ccc2cc(C3(c4cccc5ccccc45)C4CC5CC(C4)CC3C5)ccc2c1
InChIInChI=1S/C30H28/c1-2-8-24-19-25(13-12-22(24)6-1)30(26-15-20-14-21(17-26)18-27(30)16-20)29-11-5-9-23-7-3-4-10-28(23)29/h1-13,19-21,26-27H,14-18H2
InChIKeyFZBMEODSXQXSTI-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-naphthalen-1-yl-2-phenyladamantane
CID 162698485
1-(2-naphthalen-2-yl-2-adamantyl)-9H-fluorene
CID 163601006
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
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
4'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808869
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
4-[(5R,7S)-3-[4-[4-[(5S,7R)-3-naphthalen-2-yl-1-adamantyl]phenyl]phenyl]-1-adamantyl]phenanthrene
CID 101004068
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 167353716
8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
CID 168808880
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

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-naphthalen-2-yladamantane?
The IUPAC name of 2-naphthalen-1-yl-2-naphthalen-2-yladamantane (CID 162698501) is 2-naphthalen-1-yl-2-naphthalen-2-yladamantane.
What is the SMILES notation for 2-naphthalen-1-yl-2-naphthalen-2-yladamantane?
The canonical SMILES for 2-naphthalen-1-yl-2-naphthalen-2-yladamantane is c1ccc2cc(C3(c4cccc5ccccc45)C4CC5CC(C4)CC3C5)ccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-2-naphthalen-2-yladamantane?
The InChIKey is FZBMEODSXQXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-2-8-24-19-25(13-12-22(24)6-1)30(26-15-20-14-21(17-26)18-27(30)16-20)29-11-5-9-23-7-3-4-10-28(23)29/h1-13,19-21,26-27H,14-18H2.
What are the key properties of 2-naphthalen-1-yl-2-naphthalen-2-yladamantane?
2-naphthalen-1-yl-2-naphthalen-2-yladamantane has a molecular weight of 388.55 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-naphthalen-2-yladamantane is sourced from PubChem (CID 162698501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).