9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane

C49H42 — CID 144670668

IUPAC9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane
SMILESCC.CC1c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccc7c(c6c5)C=CC5C=CC=CC75)ccc3-4)cc21
InChIInChI=1S/C47H36.C2H6/c1-28-35-9-6-7-11-37(35)39-21-16-32(24-43(28)39)34-18-23-42-41-22-17-33(26-45(41)47(2,3)46(42)27-34)31-13-12-30-15-19-38-36-10-5-4-8-29(36)14-20-40(38)44(30)25-31;1-2/h4-29,36H,1-3H3;1-2H3
InChIKeyOVXKTQOCPXZXEJ-UHFFFAOYSA-N
MW630.88 g/mol
LogP13.49
Rot. Bonds2

About 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane

9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane (PubChem CID 144670668) has the molecular formula C49H42 and a molecular weight of 630.88 g/mol. Its IUPAC name is 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane.

Molecular Properties

Compound Name9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane
PubChem CID144670668
Molecular FormulaC49H42
Molecular Weight630.88 g/mol
Exact Mass630.33
IUPAC Name9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane
SMILESCC.CC1c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccc7c(c6c5)C=CC5C=CC=CC75)ccc3-4)cc21
InChIInChI=1S/C47H36.C2H6/c1-28-35-9-6-7-11-37(35)39-21-16-32(24-43(28)39)34-18-23-42-41-22-17-33(26-45(41)47(2,3)46(42)27-34)31-13-12-30-15-19-38-36-10-5-4-8-29(36)14-20-40(38)44(30)25-31;1-2/h4-29,36H,1-3H3;1-2H3
InChIKeyOVXKTQOCPXZXEJ-UHFFFAOYSA-N
XLogP13.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.88
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene;(9S)-2-(9,9-dimethylfluoren-2-yl)-9-methylfluoren-9-ol;9,9-dimethyl-2-(9-methyl-9H-fluoren-2-yl)fluorene
CID 161049331
9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
CID 159545649
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-[7-(4b,8a-dihydrotriphenylen-2-yl)dibenzothiophen-3-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 155002467
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
3-[3-[4-(4a,10a-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
CID 143808820
2-(7-benzo[c]phenanthren-2-yl-9,9-dimethylfluoren-2-yl)benzo[c]phenanthrene
CID 123543063
2-[3-[3-[3-(4a,8a-dihydronaphthalen-2-yl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene;9,9-dimethyl-2-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]fluorene;2-[3-[3-[3-(4-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene;2-[3-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 158512882
6-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]-4a,4b,6a,10a,10b,12a-hexahydrochrysene
CID 58569807
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002

Frequently Asked Questions

What is the IUPAC name of 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane?
The IUPAC name of 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane (CID 144670668) is 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane.
What is the SMILES notation for 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane?
The canonical SMILES for 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane is CC.CC1c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccc7c(c6c5)C=CC5C=CC=CC75)ccc3-4)cc21.
What is the InChIKey of 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane?
The InChIKey is OVXKTQOCPXZXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36.C2H6/c1-28-35-9-6-7-11-37(35)39-21-16-32(24-43(28)39)34-18-23-42-41-22-17-33(26-45(41)47(2,3)46(42)27-34)31-13-12-30-15-19-38-36-10-5-4-8-29(36)14-20-40(38)44(30)25-31;1-2/h4-29,36H,1-3H3;1-2H3.
What are the key properties of 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane?
9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane has a molecular weight of 630.88 g/mol, XLogP of 13.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9,9-dimethyl-7-(9-methyl-9H-fluoren-2-yl)fluoren-2-yl]-4a,12a-dihydrochrysene;ethane is sourced from PubChem (CID 144670668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).