2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine

C54H35NS — CID 137413902

IUPAC2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3cccc5c3sc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C54H35NS/c1-5-18-36(19-6-1)38-32-50(37-20-7-2-8-21-37)55-51(33-38)47-34-46-41-26-13-15-30-48(41)54(39-22-9-3-10-23-39,40-24-11-4-12-25-40)49(46)35-45(47)44-29-17-28-43-42-27-14-16-31-52(42)56-53(43)44/h1-35H
InChIKeyZGHCXDPYPHPZQU-UHFFFAOYSA-N
MW729.95 g/mol
LogP14.48
Rot. Bonds6

About 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine

2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine (PubChem CID 137413902) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine
PubChem CID137413902
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC Name2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3cccc5c3sc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C54H35NS/c1-5-18-36(19-6-1)38-32-50(37-20-7-2-8-21-37)55-51(33-38)47-34-46-41-26-13-15-30-48(41)54(39-22-9-3-10-23-39,40-24-11-4-12-25-40)49(46)35-45(47)44-29-17-28-43-42-27-14-16-31-52(42)56-53(43)44/h1-35H
InChIKeyZGHCXDPYPHPZQU-UHFFFAOYSA-N
XLogP14.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine 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-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyrimidine
CID 137413842
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146367774
2-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine;2-[2-(9,9-dimethylfluoren-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenylpyridine;2-[2-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenylpyridine
CID 159436810
4-(2-dibenzothiophen-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602824
4-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115866
4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603309
4-dibenzothiophen-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167348948
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602008
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603171
2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-2-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 146669934
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171582961

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine?
The IUPAC name of 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine (CID 137413902) is 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine.
What is the SMILES notation for 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine?
The canonical SMILES for 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4c(cc3-c3cccc5c3sc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine?
The InChIKey is ZGHCXDPYPHPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-5-18-36(19-6-1)38-32-50(37-20-7-2-8-21-37)55-51(33-38)47-34-46-41-26-13-15-30-48(41)54(39-22-9-3-10-23-39,40-24-11-4-12-25-40)49(46)35-45(47)44-29-17-28-43-42-27-14-16-31-52(42)56-53(43)44/h1-35H.
What are the key properties of 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine?
2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine has a molecular weight of 729.95 g/mol, XLogP of 14.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzothiophen-4-yl-9,9-diphenylfluoren-3-yl)-4,6-diphenylpyridine is sourced from PubChem (CID 137413902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).