7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane

C52H38 — CID 143739700

IUPAC7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
SMILESCC.c1ccc(-c2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C50H32.C2H6/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-20-12-21-39(32-38)40-30-31-45-48-41(40)24-13-25-44(48)49-46(36-16-6-2-7-17-36)42-22-10-11-23-43(42)47(50(45)49)37-18-8-3-9-19-37;1-2/h1-32H;1-2H3
InChIKeyROGGJDVJQBVTPA-UHFFFAOYSA-N
MW662.88 g/mol
LogP15.00
Rot. Bonds5

About 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane

7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane (PubChem CID 143739700) has the molecular formula C52H38 and a molecular weight of 662.88 g/mol. Its IUPAC name is 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane.

Molecular Properties

Compound Name7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
PubChem CID143739700
Molecular FormulaC52H38
Molecular Weight662.88 g/mol
Exact Mass662.30
IUPAC Name7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
SMILESCC.c1ccc(-c2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C50H32.C2H6/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-20-12-21-39(32-38)40-30-31-45-48-41(40)24-13-25-44(48)49-46(36-16-6-2-7-17-36)42-22-10-11-23-43(42)47(50(45)49)37-18-8-3-9-19-37;1-2/h1-32H;1-2H3
InChIKeyROGGJDVJQBVTPA-UHFFFAOYSA-N
XLogP15.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane with MolForge

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Related Compounds

12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988802
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
3-[3-(7,9,12-triphenylbenzo[k]fluoranthen-4-yl)phenyl]benzonitrile
CID 166868366
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852
7,12-diphenyl-9-(8-phenylfluoranthen-3-yl)benzo[k]fluoranthene
CID 59326163
4-fluoranthen-8-yl-7,9,12-triphenylbenzo[k]fluoranthene
CID 58390175
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
3-[6-[4-(fluoromethyl)phenyl]naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 118579663
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
CID 58988845

Frequently Asked Questions

What is the IUPAC name of 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane?
The IUPAC name of 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane (CID 143739700) is 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane.
What is the SMILES notation for 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane?
The canonical SMILES for 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane is CC.c1ccc(-c2ccc(-c3cccc(-c4ccc5c6c(cccc46)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane?
The InChIKey is ROGGJDVJQBVTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C2H6/c1-4-14-33(15-5-1)34-26-28-35(29-27-34)38-20-12-21-39(32-38)40-30-31-45-48-41(40)24-13-25-44(48)49-46(36-16-6-2-7-17-36)42-22-10-11-23-43(42)47(50(45)49)37-18-8-3-9-19-37;1-2/h1-32H;1-2H3.
What are the key properties of 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane?
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane has a molecular weight of 662.88 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane is sourced from PubChem (CID 143739700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).