6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene

C50H30S — CID 90209671

IUPAC6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C50H30S/c1-4-14-31(15-5-1)34-26-29-44-43(30-34)40-24-13-23-39(50(40)51-44)35-27-28-42-47-36(35)22-12-25-41(47)48-45(32-16-6-2-7-17-32)37-20-10-11-21-38(37)46(49(42)48)33-18-8-3-9-19-33/h1-30H
InChIKeyOEYZNMOHTSNXLZ-UHFFFAOYSA-N
MW662.86 g/mol
LogP14.68
Rot. Bonds4

About 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene

6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene (PubChem CID 90209671) has the molecular formula C50H30S and a molecular weight of 662.86 g/mol. Its IUPAC name is 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene.

Molecular Properties

Compound Name6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
PubChem CID90209671
Molecular FormulaC50H30S
Molecular Weight662.86 g/mol
Exact Mass662.21
IUPAC Name6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene
SMILESc1ccc(-c2ccc3sc4c(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C50H30S/c1-4-14-31(15-5-1)34-26-29-44-43(30-34)40-24-13-23-39(50(40)51-44)35-27-28-42-47-36(35)22-12-25-41(47)48-45(32-16-6-2-7-17-32)37-20-10-11-21-38(37)46(49(42)48)33-18-8-3-9-19-33/h1-30H
InChIKeyOEYZNMOHTSNXLZ-UHFFFAOYSA-N
XLogP14.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.86
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)-2,8-diphenyldibenzothiophene
CID 90209846
2-(10-phenylanthracen-9-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)dibenzothiophene
CID 90209780
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
4-(7,8,11,12-tetraphenylbenzo[k]fluoranthen-3-yl)dibenzothiophene
CID 90209868
4-[3-(2-phenylnaphtho[2,3-b][1]benzothiol-6-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine
CID 90209873
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
4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 155333209
1-[8-dibenzothiophen-1-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene;4-[8-dibenzothiophen-4-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzothiophene
CID 157269152
4-[3-(6-phenyldibenzothiophen-4-yl)-7-pyridin-4-ylbenzo[k]fluoranthen-12-yl]pyridine
CID 90209790
4-(10-dibenzothiophen-4-yl-2-phenylanthracen-9-yl)dibenzothiophene
CID 58323249
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922

Frequently Asked Questions

What is the IUPAC name of 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene?
The IUPAC name of 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene (CID 90209671) is 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene.
What is the SMILES notation for 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene?
The canonical SMILES for 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene is c1ccc(-c2ccc3sc4c(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cccc4c3c2)cc1.
What is the InChIKey of 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene?
The InChIKey is OEYZNMOHTSNXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30S/c1-4-14-31(15-5-1)34-26-29-44-43(30-34)40-24-13-23-39(50(40)51-44)35-27-28-42-47-36(35)22-12-25-41(47)48-45(32-16-6-2-7-17-32)37-20-10-11-21-38(37)46(49(42)48)33-18-8-3-9-19-33/h1-30H.
What are the key properties of 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene?
6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene has a molecular weight of 662.86 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-2-phenyldibenzothiophene is sourced from PubChem (CID 90209671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).