2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]

C45H30O — CID 137455213

IUPAC2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
SMILESC1=Cc2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc2CC1
InChIInChI=1S/C45H30O/c1-3-11-31-25-33(19-17-29(31)9-1)35-21-23-37-38-24-22-36(34-20-18-30-10-2-4-12-32(30)26-34)28-42(38)45(41(37)27-35)39-13-5-7-15-43(39)46-44-16-8-6-14-40(44)45/h1-3,5-11,13-28H,4,12H2
InChIKeyFRJIBVTZZZEUGK-UHFFFAOYSA-N
MW586.73 g/mol
LogP11.60
Rot. Bonds2

About 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]

2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene] (PubChem CID 137455213) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
PubChem CID137455213
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
SMILESC1=Cc2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc2CC1
InChIInChI=1S/C45H30O/c1-3-11-31-25-33(19-17-29(31)9-1)35-21-23-37-38-24-22-36(34-20-18-30-10-2-4-12-32(30)26-34)28-42(38)45(41(37)27-35)39-13-5-7-15-43(39)46-44-16-8-6-14-40(44)45/h1-3,5-11,13-28H,4,12H2
InChIKeyFRJIBVTZZZEUGK-UHFFFAOYSA-N
XLogP11.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]
CID 144772650
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155442879
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
7'-phenylspiro[3,4-dihydroxanthene-9,9'-fluorene]-2'-amine
CID 146215867
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene] (CID 137455213) is 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene] is C1=Cc2ccc(-c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3cc(-c5ccc6ccccc6c5)ccc3-4)cc2CC1.
What is the InChIKey of 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]?
The InChIKey is FRJIBVTZZZEUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-3-11-31-25-33(19-17-29(31)9-1)35-21-23-37-38-24-22-36(34-20-18-30-10-2-4-12-32(30)26-34)28-42(38)45(41(37)27-35)39-13-5-7-15-43(39)46-44-16-8-6-14-40(44)45/h1-3,5-11,13-28H,4,12H2.
What are the key properties of 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]?
2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene] has a molecular weight of 586.73 g/mol, XLogP of 11.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 137455213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).