5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole

C45H34N4O2 — CID 163700977

IUPAC5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(-c6oc(C)nc6C)n5)ccc3-4)n2)o1
InChIInChI=1S/C45H34N4O2/c1-27-43(50-29(3)46-27)41-19-11-17-39(48-41)31-21-23-35-36-24-22-32(40-18-12-20-42(49-40)44-28(2)47-30(4)51-44)26-38(36)45(37(35)25-31,33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-26H,1-4H3
InChIKeyKAYMMZRAHMRBPE-UHFFFAOYSA-N
MW662.79 g/mol
LogP10.72
Rot. Bonds6

About 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole

5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole (PubChem CID 163700977) has the molecular formula C45H34N4O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
PubChem CID163700977
Molecular FormulaC45H34N4O2
Molecular Weight662.79 g/mol
Exact Mass662.27
IUPAC Name5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(-c6oc(C)nc6C)n5)ccc3-4)n2)o1
InChIInChI=1S/C45H34N4O2/c1-27-43(50-29(3)46-27)41-19-11-17-39(48-41)31-21-23-35-36-24-22-32(40-18-12-20-42(49-40)44-28(2)47-30(4)51-44)26-38(36)45(37(35)25-31,33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-26H,1-4H3
InChIKeyKAYMMZRAHMRBPE-UHFFFAOYSA-N
XLogP10.72
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole 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-chloro-6-(9,9-diphenylfluoren-2-yl)pyridine
CID 164803869
5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
[7-(9,9-diphenyl-7-trimethylsilylfluoren-2-yl)-9,9-diphenylfluoren-2-yl]-trimethylsilane
CID 102177279
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-methyl-3-[6-[7'-[6-(2-methyl-3-pyridinyl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]pyridine
CID 118895356
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
[9,9-diphenyl-7-[3-[3-[2-phenyl-6-(3-pyridin-2-ylphenyl)-4-pyridinyl]phenyl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088025
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
2-[6-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250011
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097

Frequently Asked Questions

What is the IUPAC name of 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole (CID 163700977) is 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2cccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cccc(-c6oc(C)nc6C)n5)ccc3-4)n2)o1.
What is the InChIKey of 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is KAYMMZRAHMRBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4O2/c1-27-43(50-29(3)46-27)41-19-11-17-39(48-41)31-21-23-35-36-24-22-32(40-18-12-20-42(49-40)44-28(2)47-30(4)51-44)26-38(36)45(37(35)25-31,33-13-7-5-8-14-33)34-15-9-6-10-16-34/h5-26H,1-4H3.
What are the key properties of 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole?
5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 662.79 g/mol, XLogP of 10.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[7-[6-(2,4-dimethyl-1,3-oxazol-5-yl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 163700977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).