2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol

C42H27N3O — CID 166511811

IUPAC2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(C2(c3cccc(-c4ncc5c(ccc6ccccc65)n4)c3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C42H27N3O/c46-39-21-8-5-17-33(39)37-20-10-22-40(44-37)42(35-18-6-3-15-31(35)32-16-4-7-19-36(32)42)29-13-9-12-28(25-29)41-43-26-34-30-14-2-1-11-27(30)23-24-38(34)45-41/h1-26,46H
InChIKeyMCKPXZKJMMWMFH-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.58
Rot. Bonds4

About 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol

2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol (PubChem CID 166511811) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
PubChem CID166511811
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(C2(c3cccc(-c4ncc5c(ccc6ccccc65)n4)c3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C42H27N3O/c46-39-21-8-5-17-33(39)37-20-10-22-40(44-37)42(35-18-6-3-15-31(35)32-16-4-7-19-36(32)42)29-13-9-12-28(25-29)41-43-26-34-30-14-2-1-11-27(30)23-24-38(34)45-41/h1-26,46H
InChIKeyMCKPXZKJMMWMFH-UHFFFAOYSA-N
XLogP9.58
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[6-[9-(3-thieno[2,3-d]pyrimidin-4-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511765
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841
2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511806
2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511894
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine
CID 167364468
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
2-chrysen-3-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 157161440
2-methyl-6-[9-[3-[1-[3-[9-(6-methyl-2-pyridinyl)fluoren-9-yl]phenyl]-2,2-diphenylethenyl]phenyl]fluoren-9-yl]pyridine
CID 167327880

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol (CID 166511811) is 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol is Oc1ccccc1-c1cccc(C2(c3cccc(-c4ncc5c(ccc6ccccc65)n4)c3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
The InChIKey is MCKPXZKJMMWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c46-39-21-8-5-17-33(39)37-20-10-22-40(44-37)42(35-18-6-3-15-31(35)32-16-4-7-19-36(32)42)29-13-9-12-28(25-29)41-43-26-34-30-14-2-1-11-27(30)23-24-38(34)45-41/h1-26,46H.
What are the key properties of 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol?
2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol has a molecular weight of 589.70 g/mol, XLogP of 9.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol is sourced from PubChem (CID 166511811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).