3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene

C41H28 — CID 58569056

IUPAC3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)ccc4c3)cc21
InChIInChI=1S/C41H28/c1-41(2)38-13-6-5-10-33(38)34-19-18-28(24-39(34)41)26-14-15-27-23-29(17-16-25(27)22-26)30-20-21-37-32-9-4-3-8-31(32)36-12-7-11-35(30)40(36)37/h3-24H,1-2H3
InChIKeyFBTVZHGLYAYNJG-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.28
Rot. Bonds2

About 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene

3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene (PubChem CID 58569056) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene.

Molecular Properties

Compound Name3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
PubChem CID58569056
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)ccc4c3)cc21
InChIInChI=1S/C41H28/c1-41(2)38-13-6-5-10-33(38)34-19-18-28(24-39(34)41)26-14-15-27-23-29(17-16-25(27)22-26)30-20-21-37-32-9-4-3-8-31(32)36-12-7-11-35(30)40(36)37/h3-24H,1-2H3
InChIKeyFBTVZHGLYAYNJG-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

3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
16-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123367389
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
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-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175330

Frequently Asked Questions

What is the IUPAC name of 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene?
The IUPAC name of 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene (CID 58569056) is 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene.
What is the SMILES notation for 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene?
The canonical SMILES for 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)ccc4c3)cc21.
What is the InChIKey of 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene?
The InChIKey is FBTVZHGLYAYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-41(2)38-13-6-5-10-33(38)34-19-18-28(24-39(34)41)26-14-15-27-23-29(17-16-25(27)22-26)30-20-21-37-32-9-4-3-8-31(32)36-12-7-11-35(30)40(36)37/h3-24H,1-2H3.
What are the key properties of 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene?
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene 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 3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene is sourced from PubChem (CID 58569056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).