2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene

C41H28S — CID 166034445

IUPAC2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7sc8ccccc8c7c6)ccc5c4)ccc3c21
InChIInChI=1S/C41H28S/c1-41(2)37-9-5-3-7-33(37)35-19-16-31-23-29(15-18-32(31)40(35)41)27-12-11-26-22-28(14-13-25(26)21-27)30-17-20-39-36(24-30)34-8-4-6-10-38(34)42-39/h3-24H,1-2H3
InChIKeyFKDFZLBKRFTQMS-UHFFFAOYSA-N
MW552.74 g/mol
LogP12.00
Rot. Bonds2

About 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene

2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene (PubChem CID 166034445) has the molecular formula C41H28S and a molecular weight of 552.74 g/mol. Its IUPAC name is 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene.

Molecular Properties

Compound Name2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene
PubChem CID166034445
Molecular FormulaC41H28S
Molecular Weight552.74 g/mol
Exact Mass552.19
IUPAC Name2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7sc8ccccc8c7c6)ccc5c4)ccc3c21
InChIInChI=1S/C41H28S/c1-41(2)37-9-5-3-7-33(37)35-19-16-31-23-29(15-18-32(31)40(35)41)27-12-11-26-22-28(14-13-25(26)21-27)30-17-20-39-36(24-30)34-8-4-6-10-38(34)42-39/h3-24H,1-2H3
InChIKeyFKDFZLBKRFTQMS-UHFFFAOYSA-N
XLogP12.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.74
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzothiophene
CID 122425798
2-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167326456
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
4-[4-(7-dibenzothiophen-4-ylphenanthren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;4-[6-(3-dibenzothiophen-2-ylphenyl)naphthalen-2-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 160527853
2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176587952
7-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-3,16-dithiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaene
CID 130214065
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 166565755
12,12-dimethyl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoreno[1,2-b][1]benzothiole
CID 122426915
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine;bis(2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine);bis(2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine)
CID 160935440
18-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-3,3-dimethyl-24-oxahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186204
9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-phenylphenyl)anthracene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 164995023
N-[6-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-2-yl]-N-phenyldibenzothiophen-2-amine
CID 170412884

Frequently Asked Questions

What is the IUPAC name of 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene?
The IUPAC name of 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene (CID 166034445) is 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene.
What is the SMILES notation for 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene?
The canonical SMILES for 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene is CC1(C)c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7sc8ccccc8c7c6)ccc5c4)ccc3c21.
What is the InChIKey of 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene?
The InChIKey is FKDFZLBKRFTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28S/c1-41(2)37-9-5-3-7-33(37)35-19-16-31-23-29(15-18-32(31)40(35)41)27-12-11-26-22-28(14-13-25(26)21-27)30-17-20-39-36(24-30)34-8-4-6-10-38(34)42-39/h3-24H,1-2H3.
What are the key properties of 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene?
2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene has a molecular weight of 552.74 g/mol, XLogP of 12.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]dibenzothiophene is sourced from PubChem (CID 166034445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).