4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene

C41H28 — CID 140801812

IUPAC4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cccc3c21
InChIInChI=1S/C41H28/c1-41(2)38-19-6-5-15-33(38)36-21-20-32-29(16-9-18-35(32)40(36)41)26-11-7-10-25(22-26)28-23-27-12-8-17-34-30-13-3-4-14-31(30)37(24-28)39(27)34/h3-24H,1-2H3
InChIKeyOYPQWPIXVWGKPD-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.28
Rot. Bonds2

About 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene

4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene (PubChem CID 140801812) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene.

Molecular Properties

Compound Name4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene
PubChem CID140801812
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cccc3c21
InChIInChI=1S/C41H28/c1-41(2)38-19-6-5-15-33(38)36-21-20-32-29(16-9-18-35(32)40(36)41)26-11-7-10-25(22-26)28-23-27-12-8-17-34-30-13-3-4-14-31(30)37(24-28)39(27)34/h3-24H,1-2H3
InChIKeyOYPQWPIXVWGKPD-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(6-fluoranthen-2-ylnaphthalen-2-yl)-11,11-dimethylbenzo[a]fluorene
CID 140801823
19-fluoranthen-3-yl-12,12-dimethyl-7-phenanthren-9-ylpentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene
CID 59533053
4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene;3-(3-fluoranthen-2-ylphenyl)-7,7-dimethylbenzo[c]fluorene;5-(3-fluoranthen-2-ylphenyl)-11-phenylbenzo[a]carbazole;11-(3-fluoranthen-2-ylphenyl)-5-phenylbenzo[b]carbazole
CID 158384371
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
2-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
11,11,12,12-tetramethyl-2-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]indeno[2,1-a]fluorene
CID 140710807
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene?
The IUPAC name of 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene (CID 140801812) is 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene.
What is the SMILES notation for 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene?
The canonical SMILES for 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene is CC1(C)c2ccccc2-c2ccc3c(-c4cccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)c4)cccc3c21.
What is the InChIKey of 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene?
The InChIKey is OYPQWPIXVWGKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-41(2)38-19-6-5-15-33(38)36-21-20-32-29(16-9-18-35(32)40(36)41)26-11-7-10-25(22-26)28-23-27-12-8-17-34-30-13-3-4-14-31(30)37(24-28)39(27)34/h3-24H,1-2H3.
What are the key properties of 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene?
4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene has a molecular weight of 520.68 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoranthen-2-ylphenyl)-11,11-dimethylbenzo[a]fluorene is sourced from PubChem (CID 140801812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).