7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene

C50H30F6 — CID 59404128

IUPAC7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)c5ccccc35)-c3cccc5cccc-4c35)cc21
InChIInChI=1S/C50H30F6/c1-47(49(51,52)53)38-19-7-5-13-30(38)32-23-21-28(25-40(32)47)43-34-15-3-4-16-35(34)44(46-37-18-10-12-27-11-9-17-36(42(27)37)45(43)46)29-22-24-33-31-14-6-8-20-39(31)48(2,41(33)26-29)50(54,55)56/h3-26H,1-2H3
InChIKeyNQFOBBZVZXMZEO-UHFFFAOYSA-N
MW744.78 g/mol
LogP14.67
Rot. Bonds2

About 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene

7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene (PubChem CID 59404128) has the molecular formula C50H30F6 and a molecular weight of 744.78 g/mol. Its IUPAC name is 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene.

Molecular Properties

Compound Name7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
PubChem CID59404128
Molecular FormulaC50H30F6
Molecular Weight744.78 g/mol
Exact Mass744.23
IUPAC Name7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)c5ccccc35)-c3cccc5cccc-4c35)cc21
InChIInChI=1S/C50H30F6/c1-47(49(51,52)53)38-19-7-5-13-30(38)32-23-21-28(25-40(32)47)43-34-15-3-4-16-35(34)44(46-37-18-10-12-27-11-9-17-36(42(27)37)45(43)46)29-22-24-33-31-14-6-8-20-39(31)48(2,41(33)26-29)50(54,55)56/h3-26H,1-2H3
InChIKeyNQFOBBZVZXMZEO-UHFFFAOYSA-N
XLogP14.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.78
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-bis(9,9-ditert-butylfluoren-2-yl)benzo[k]fluoranthene
CID 59404113
12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene
CID 59404102
2,9-dimethyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512862
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-bromo-9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluorene
CID 59512956
3,10-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454251
2,3,6,7-tetrakis(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluorene
CID 59245648
7-(9,9-dimethylfluoren-2-yl)-10-phenylfluoranthene
CID 170668000
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239

Frequently Asked Questions

What is the IUPAC name of 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene?
The IUPAC name of 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene (CID 59404128) is 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene.
What is the SMILES notation for 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene?
The canonical SMILES for 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene is CC1(C(F)(F)F)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)c5ccccc35)-c3cccc5cccc-4c35)cc21.
What is the InChIKey of 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene?
The InChIKey is NQFOBBZVZXMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F6/c1-47(49(51,52)53)38-19-7-5-13-30(38)32-23-21-28(25-40(32)47)43-34-15-3-4-16-35(34)44(46-37-18-10-12-27-11-9-17-36(42(27)37)45(43)46)29-22-24-33-31-14-6-8-20-39(31)48(2,41(33)26-29)50(54,55)56/h3-26H,1-2H3.
What are the key properties of 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene?
7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene has a molecular weight of 744.78 g/mol, XLogP of 14.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene is sourced from PubChem (CID 59404128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).