4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine

C48H28N2S — CID 90209790

IUPAC4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccncc5)c5ccccc5c4-c4ccncc4)cccc23)cc1
InChIInChI=1S/C48H28N2S/c1-2-9-29(10-3-1)32-13-6-16-38-39-17-8-15-37(48(39)51-47(32)38)33-19-20-41-44-34(33)14-7-18-40(44)45-42(30-21-25-49-26-22-30)35-11-4-5-12-36(35)43(46(41)45)31-23-27-50-28-24-31/h1-28H
InChIKeyPHWXQNIWEUGTNQ-UHFFFAOYSA-N
MW664.83 g/mol
LogP13.47
Rot. Bonds4

About 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine

4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine (PubChem CID 90209790) has the molecular formula C48H28N2S and a molecular weight of 664.83 g/mol. Its IUPAC name is 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine.

Molecular Properties

Compound Name4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine
PubChem CID90209790
Molecular FormulaC48H28N2S
Molecular Weight664.83 g/mol
Exact Mass664.20
IUPAC Name4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccncc5)c5ccccc5c4-c4ccncc4)cccc23)cc1
InChIInChI=1S/C48H28N2S/c1-2-9-29(10-3-1)32-13-6-16-38-39-17-8-15-37(48(39)51-47(32)38)33-19-20-41-44-34(33)14-7-18-40(44)45-42(30-21-25-49-26-22-30)35-11-4-5-12-36(35)43(46(41)45)31-23-27-50-28-24-31/h1-28H
InChIKeyPHWXQNIWEUGTNQ-UHFFFAOYSA-N
XLogP13.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.83
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine with MolForge

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Related Compounds

4-(7,8,11,12-tetraphenylbenzo[k]fluoranthen-3-yl)dibenzothiophene
CID 90209868
6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
CID 90209671
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
4-[3-(2-phenylnaphtho[2,3-b][1]benzothiol-6-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine
CID 90209873
7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)-2,1,3-benzothiadiazole
CID 58988854
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
2-(10-phenylanthracen-9-yl)-4-(7,8,11,12-tetraphenylbenzo[k]fluoranthen-3-yl)dibenzothiophene
CID 90209751
4-[7,12-bis(4-methylphenyl)benzo[k]fluoranthen-3-yl]naphtho[2,3-b][1]benzothiole
CID 90209709
2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene
CID 90209780
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine?
The IUPAC name of 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine (CID 90209790) is 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine.
What is the SMILES notation for 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine?
The canonical SMILES for 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine is c1ccc(-c2cccc3c2sc2c(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccncc5)c5ccccc5c4-c4ccncc4)cccc23)cc1.
What is the InChIKey of 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine?
The InChIKey is PHWXQNIWEUGTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S/c1-2-9-29(10-3-1)32-13-6-16-38-39-17-8-15-37(48(39)51-47(32)38)33-19-20-41-44-34(33)14-7-18-40(44)45-42(30-21-25-49-26-22-30)35-11-4-5-12-36(35)43(46(41)45)31-23-27-50-28-24-31/h1-28H.
What are the key properties of 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine?
4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine has a molecular weight of 664.83 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine is sourced from PubChem (CID 90209790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).