2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline

C55H36N2 — CID 145340828

IUPAC2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline
SMILESC1=CC(c2cc(-c3ccc(-c4ccc5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)ccc5c4)cc3)c3ccccc3n2)=NCC1
InChIInChI=1S/C55H36N2/c1-5-17-47-42(12-1)43-13-2-6-18-48(43)55(47)49-19-7-3-15-45(49)54-41(16-11-20-50(54)55)40-30-29-38-32-37(27-28-39(38)33-40)35-23-25-36(26-24-35)46-34-53(52-22-9-10-31-56-52)57-51-21-8-4-14-44(46)51/h1-9,11-30,32-34H,10,31H2
InChIKeyJJDVRGQCCYYGGR-UHFFFAOYSA-N
MW724.91 g/mol
LogP13.48
Rot. Bonds4

About 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline

2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline (PubChem CID 145340828) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline
PubChem CID145340828
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline
SMILESC1=CC(c2cc(-c3ccc(-c4ccc5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)ccc5c4)cc3)c3ccccc3n2)=NCC1
InChIInChI=1S/C55H36N2/c1-5-17-47-42(12-1)43-13-2-6-18-48(43)55(47)49-19-7-3-15-45(49)54-41(16-11-20-50(54)55)40-30-29-38-32-37(27-28-39(38)33-40)35-23-25-36(26-24-35)46-34-53(52-22-9-10-31-56-52)57-51-21-8-4-14-44(46)51/h1-9,11-30,32-34H,10,31H2
InChIKeyJJDVRGQCCYYGGR-UHFFFAOYSA-N
XLogP13.48
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline
CID 129302303
2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 167177433
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[2-[4-[3-[4-[4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 155442651
4-phenanthren-2-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinazoline
CID 126537139
21-(4-naphthalen-1-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-(4-naphthalen-2-ylphenyl)spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];21-[4-(4-phenylphenyl)phenyl]spiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 158542850
2-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]-3-(3-phenylphenyl)quinoxaline
CID 171051318
4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 126536750
4-[4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-phenanthren-2-ylquinoline
CID 129302258
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine
CID 134272112

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline?
The IUPAC name of 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline (CID 145340828) is 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline.
What is the SMILES notation for 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline?
The canonical SMILES for 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline is C1=CC(c2cc(-c3ccc(-c4ccc5cc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)ccc5c4)cc3)c3ccccc3n2)=NCC1.
What is the InChIKey of 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline?
The InChIKey is JJDVRGQCCYYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-5-17-47-42(12-1)43-13-2-6-18-48(43)55(47)49-19-7-3-15-45(49)54-41(16-11-20-50(54)55)40-30-29-38-32-37(27-28-39(38)33-40)35-23-25-36(26-24-35)46-34-53(52-22-9-10-31-56-52)57-51-21-8-4-14-44(46)51/h1-9,11-30,32-34H,10,31H2.
What are the key properties of 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline?
2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline has a molecular weight of 724.91 g/mol, XLogP of 13.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-6-yl)-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline is sourced from PubChem (CID 145340828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).