3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene

C37H34 — CID 123517228

IUPAC3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene
SMILESCCC1(CC)c2cc(CC(C)C)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C37H34/c1-5-37(6-2)34-21-24(20-23(3)4)14-16-29(34)30-17-15-25(22-35(30)37)26-18-19-33-28-11-8-7-10-27(28)32-13-9-12-31(26)36(32)33/h7-19,21-23H,5-6,20H2,1-4H3
InChIKeyLPVBAZPZZGCGNR-UHFFFAOYSA-N
MW478.68 g/mol
LogP10.44
Rot. Bonds5

About 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene

3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene (PubChem CID 123517228) has the molecular formula C37H34 and a molecular weight of 478.68 g/mol. Its IUPAC name is 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene.

Molecular Properties

Compound Name3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene
PubChem CID123517228
Molecular FormulaC37H34
Molecular Weight478.68 g/mol
Exact Mass478.27
IUPAC Name3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene
SMILESCCC1(CC)c2cc(CC(C)C)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc21
InChIInChI=1S/C37H34/c1-5-37(6-2)34-21-24(20-23(3)4)14-16-29(34)30-17-15-25(22-35(30)37)26-18-19-33-28-11-8-7-10-27(28)32-13-9-12-31(26)36(32)33/h7-19,21-23H,5-6,20H2,1-4H3
InChIKeyLPVBAZPZZGCGNR-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
CID 58880878
9,9-bis(methoxymethyl)-2-(2-methylpropyl)fluorene
CID 141021386
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene
CID 20821974
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
9-[9,9-diethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene
CID 20822281
2-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7-N-[4-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 135291087
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
12-(7-fluoranthen-3-yl-9,9-dimethylfluoren-2-yl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 58569298

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene?
The IUPAC name of 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene (CID 123517228) is 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene.
What is the SMILES notation for 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene?
The canonical SMILES for 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene is CCC1(CC)c2cc(CC(C)C)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc21.
What is the InChIKey of 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene?
The InChIKey is LPVBAZPZZGCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34/c1-5-37(6-2)34-21-24(20-23(3)4)14-16-29(34)30-17-15-25(22-35(30)37)26-18-19-33-28-11-8-7-10-27(28)32-13-9-12-31(26)36(32)33/h7-19,21-23H,5-6,20H2,1-4H3.
What are the key properties of 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene?
3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene has a molecular weight of 478.68 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-diethyl-7-(2-methylpropyl)fluoren-2-yl]fluoranthene is sourced from PubChem (CID 123517228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).