1,1'-spirobi[2H-naphthalene]

C19H16 — CID 158698330

IUPAC1,1'-spirobi[2H-naphthalene]
SMILESC1=Cc2ccccc2C2(C1)CC=Cc1ccccc12
InChIInChI=1S/C19H16/c1-3-11-17-15(7-1)9-5-13-19(17)14-6-10-16-8-2-4-12-18(16)19/h1-12H,13-14H2
InChIKeyXVFONZJWAYXIQX-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.81
Rot. Bonds

About 1,1'-spirobi[2H-naphthalene]

1,1'-spirobi[2H-naphthalene] (PubChem CID 158698330) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,1'-spirobi[2H-naphthalene].

Molecular Properties

Compound Name1,1'-spirobi[2H-naphthalene]
PubChem CID158698330
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name1,1'-spirobi[2H-naphthalene]
SMILESC1=Cc2ccccc2C2(C1)CC=Cc1ccccc12
InChIInChI=1S/C19H16/c1-3-11-17-15(7-1)9-5-13-19(17)14-6-10-16-8-2-4-12-18(16)19/h1-12H,13-14H2
InChIKeyXVFONZJWAYXIQX-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
1-[(1-hydroxy-2H-naphthalen-1-yl)sulfanyl]-2H-naphthalen-1-ol
CID 70302802
1-phenyl-2H-naphthalene-1-carbaldehyde
CID 87494055
1-methoxy-2H-naphthalen-1-amine
CID 141164754
(1-methyl-2H-naphthalen-1-yl)methanamine
CID 71302086
1-(3,4-dihydro-2H-quinolin-1-yl)-2H-naphthalen-1-ol
CID 141039750
1-(chloromethyl)-1-methoxy-2H-naphthalene
CID 155163212
1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-2H-naphthalen-1-ol
CID 126615554
N'-hydroxy-2-(1-methyl-2H-naphthalen-1-yl)ethanimidamide
CID 19868678
(1S)-1-[[[(S)-hydroxy(sulfanyl)methyl]amino]methyl]-2H-naphthalen-1-ol
CID 124639411
1,1-dimethyl-2H-naphthalene;1,2,3,4-tetrahydrochrysene
CID 174358601
N,N-dimethylspiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-1-amine
CID 3038614

Frequently Asked Questions

What is the IUPAC name of 1,1'-spirobi[2H-naphthalene]?
The IUPAC name of 1,1'-spirobi[2H-naphthalene] (CID 158698330) is 1,1'-spirobi[2H-naphthalene].
What is the SMILES notation for 1,1'-spirobi[2H-naphthalene]?
The canonical SMILES for 1,1'-spirobi[2H-naphthalene] is C1=Cc2ccccc2C2(C1)CC=Cc1ccccc12.
What is the InChIKey of 1,1'-spirobi[2H-naphthalene]?
The InChIKey is XVFONZJWAYXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-3-11-17-15(7-1)9-5-13-19(17)14-6-10-16-8-2-4-12-18(16)19/h1-12H,13-14H2.
What are the key properties of 1,1'-spirobi[2H-naphthalene]?
1,1'-spirobi[2H-naphthalene] has a molecular weight of 244.34 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-spirobi[2H-naphthalene] is sourced from PubChem (CID 158698330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).