2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline

C40H25N — CID 167177433

IUPAC2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C40H25N/c1-2-13-26(14-3-1)38-25-32(29-17-7-11-24-37(29)41-38)30-19-12-23-36-39(30)31-18-6-10-22-35(31)40(36)33-20-8-4-15-27(33)28-16-5-9-21-34(28)40/h1-25H
InChIKeyRVZIHFPBDAPEFV-UHFFFAOYSA-N
MW519.65 g/mol
LogP9.91
Rot. Bonds2

About 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline

2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline (PubChem CID 167177433) has the molecular formula C40H25N and a molecular weight of 519.65 g/mol. Its IUPAC name is 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline.

Molecular Properties

Compound Name2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
PubChem CID167177433
Molecular FormulaC40H25N
Molecular Weight519.65 g/mol
Exact Mass519.20
IUPAC Name2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
SMILESc1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C40H25N/c1-2-13-26(14-3-1)38-25-32(29-17-7-11-24-37(29)41-38)30-19-12-23-36-39(30)31-18-6-10-22-35(31)40(36)33-20-8-4-15-27(33)28-16-5-9-21-34(28)40/h1-25H
InChIKeyRVZIHFPBDAPEFV-UHFFFAOYSA-N
XLogP9.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4,6-diphenylpyrimidin-2-yl)-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537023
4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 126536750
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478
2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
4-phenyl-2-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287780
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
CID 153287651
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
6'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898547
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 153302478
4-phenyl-2-(3-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356492

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
The IUPAC name of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline (CID 167177433) is 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline.
What is the SMILES notation for 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
The canonical SMILES for 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline is c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
The InChIKey is RVZIHFPBDAPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N/c1-2-13-26(14-3-1)38-25-32(29-17-7-11-24-37(29)41-38)30-19-12-23-36-39(30)31-18-6-10-22-35(31)40(36)33-20-8-4-15-27(33)28-16-5-9-21-34(28)40/h1-25H.
What are the key properties of 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline?
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline has a molecular weight of 519.65 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline is sourced from PubChem (CID 167177433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).