9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol

C46H35N3O — CID 169318085

IUPAC9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol
SMILESCc1ccccc1-c1cc(-c2cccc(-c3nc4ccccn4c3-c3ccccc3)c2)nc(-c2ccc3c(c2O)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C46H35N3O/c1-29-14-7-8-19-34(29)33-27-39(47-40(28-33)36-23-24-38-42(45(36)50)35-20-9-10-21-37(35)46(38,2)3)31-17-13-18-32(26-31)43-44(30-15-5-4-6-16-30)49-25-12-11-22-41(49)48-43/h4-28,50H,1-3H3
InChIKeyLORZQZHISLTCJK-UHFFFAOYSA-N
MW645.81 g/mol
LogP11.38
Rot. Bonds5

About 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol

9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol (PubChem CID 169318085) has the molecular formula C46H35N3O and a molecular weight of 645.81 g/mol. Its IUPAC name is 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol.

Molecular Properties

Compound Name9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol
PubChem CID169318085
Molecular FormulaC46H35N3O
Molecular Weight645.81 g/mol
Exact Mass645.28
IUPAC Name9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol
SMILESCc1ccccc1-c1cc(-c2cccc(-c3nc4ccccn4c3-c3ccccc3)c2)nc(-c2ccc3c(c2O)-c2ccccc2C3(C)C)c1
InChIInChI=1S/C46H35N3O/c1-29-14-7-8-19-34(29)33-27-39(47-40(28-33)36-23-24-38-42(45(36)50)35-20-9-10-21-37(35)46(38,2)3)31-17-13-18-32(26-31)43-44(30-15-5-4-6-16-30)49-25-12-11-22-41(49)48-43/h4-28,50H,1-3H3
InChIKeyLORZQZHISLTCJK-UHFFFAOYSA-N
XLogP11.38
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 511.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-2-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-3-ol
CID 169318108
2-[4-(2,6-dimethylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]-5-phenylphenol
CID 169318249
3-(9,9-dimethylfluoren-4-yl)-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835892
2-[4-(2,6-dimethylphenyl)-6-[3-[3-(9-phenylcarbazol-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-pyridinyl]phenol
CID 169318136
2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 169318258
3-phenyl-2-[3-[6-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 177296995
2-(4-phenylphenyl)-3-[3-[4-phenyl-6-[3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
CID 164781069
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
3-phenyl-2-[4-(5,5,10,10-tetramethyl-7-phenylindeno[2,1-a]inden-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 90068448
2-[3-(9,9-dimethyl-4-pyridin-4-ylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 155765247
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 176794513
2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 155306963

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol?
The IUPAC name of 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol (CID 169318085) is 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol.
What is the SMILES notation for 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol?
The canonical SMILES for 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol is Cc1ccccc1-c1cc(-c2cccc(-c3nc4ccccn4c3-c3ccccc3)c2)nc(-c2ccc3c(c2O)-c2ccccc2C3(C)C)c1.
What is the InChIKey of 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol?
The InChIKey is LORZQZHISLTCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3O/c1-29-14-7-8-19-34(29)33-27-39(47-40(28-33)36-23-24-38-42(45(36)50)35-20-9-10-21-37(35)46(38,2)3)31-17-13-18-32(26-31)43-44(30-15-5-4-6-16-30)49-25-12-11-22-41(49)48-43/h4-28,50H,1-3H3.
What are the key properties of 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol?
9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol has a molecular weight of 645.81 g/mol, XLogP of 11.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-[4-(2-methylphenyl)-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]fluoren-4-ol is sourced from PubChem (CID 169318085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).