3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine

C38H27NO — CID 171760889

IUPAC3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc21
InChIInChI=1S/C38H27NO/c1-38(2)34-14-4-3-9-30(34)31-20-19-26(22-35(31)38)29-11-6-13-33-32-12-5-10-28(36(32)40-37(29)33)25-17-15-24(16-18-25)27-8-7-21-39-23-27/h3-23H,1-2H3
InChIKeyYJMJRJKCQVUVBI-UHFFFAOYSA-N
MW513.64 g/mol
LogP10.29
Rot. Bonds3

About 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine

3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine (PubChem CID 171760889) has the molecular formula C38H27NO and a molecular weight of 513.64 g/mol. Its IUPAC name is 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
PubChem CID171760889
Molecular FormulaC38H27NO
Molecular Weight513.64 g/mol
Exact Mass513.21
IUPAC Name3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc21
InChIInChI=1S/C38H27NO/c1-38(2)34-14-4-3-9-30(34)31-20-19-26(22-35(31)38)29-11-6-13-33-32-12-5-10-28(36(32)40-37(29)33)25-17-15-24(16-18-25)27-8-7-21-39-23-27/h3-23H,1-2H3
InChIKeyYJMJRJKCQVUVBI-UHFFFAOYSA-N
XLogP10.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
CID 146301055
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
CID 59195576
3-[4-[6-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760974
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(6-trimethylsilyldibenzofuran-4-yl)phenyl]fluoren-2-amine
CID 90125958
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264881

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine (CID 171760889) is 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccc(-c6cccnc6)cc5)cccc34)cc21.
What is the InChIKey of 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine?
The InChIKey is YJMJRJKCQVUVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO/c1-38(2)34-14-4-3-9-30(34)31-20-19-26(22-35(31)38)29-11-6-13-33-32-12-5-10-28(36(32)40-37(29)33)25-17-15-24(16-18-25)27-8-7-21-39-23-27/h3-23H,1-2H3.
What are the key properties of 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine?
3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine has a molecular weight of 513.64 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine is sourced from PubChem (CID 171760889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).