9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene

C47H62 — CID 58371170

IUPAC9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(c1cccc(CCC(C)CCCC(C)C)c1)(c1cccc(CCC(C)CCCC(C)C)c1)c1cc(C)ccc1-2
InChIInChI=1S/C47H62/c1-33(2)13-9-15-35(5)21-25-39-17-11-19-41(31-39)47(42-20-12-18-40(32-42)26-22-36(6)16-10-14-34(3)4)45-29-37(7)23-27-43(45)44-28-24-38(8)30-46(44)47/h11-12,17-20,23-24,27-36H,9-10,13-16,21-22,25-26H2,1-8H3
InChIKeyUPRCQUKVUODRFQ-UHFFFAOYSA-N
MW627.01 g/mol
LogP13.46
Rot. Bonds16

About 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene

9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene (PubChem CID 58371170) has the molecular formula C47H62 and a molecular weight of 627.01 g/mol. Its IUPAC name is 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene.

Molecular Properties

Compound Name9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene
PubChem CID58371170
Molecular FormulaC47H62
Molecular Weight627.01 g/mol
Exact Mass626.49
IUPAC Name9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene
SMILESCc1ccc2c(c1)C(c1cccc(CCC(C)CCCC(C)C)c1)(c1cccc(CCC(C)CCCC(C)C)c1)c1cc(C)ccc1-2
InChIInChI=1S/C47H62/c1-33(2)13-9-15-35(5)21-25-39-17-11-19-41(31-39)47(42-20-12-18-40(32-42)26-22-36(6)16-10-14-34(3)4)45-29-37(7)23-27-43(45)44-28-24-38(8)30-46(44)47/h11-12,17-20,23-24,27-36H,9-10,13-16,21-22,25-26H2,1-8H3
InChIKeyUPRCQUKVUODRFQ-UHFFFAOYSA-N
XLogP13.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.01
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dimethyl-9,9-bis(3-propylphenyl)fluorene
CID 123298937
2,7-dimethyl-9-[3-[(5E)-octa-5,7-dienyl]phenyl]-9-[3-[(2E)-penta-2,4-dienyl]phenyl]fluorene
CID 123493636
9,9-bis(3-hexylphenyl)-2,7-dimethylfluorene;9,9-bis(4-hexylphenyl)-2,7-dimethylfluorene;2,7-dimethyl-9,9-dioctylfluorene
CID 158736272
1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
CID 177308905
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
9-[3-[(3-methylphenyl)methyl]phenyl]-9-phenylfluorene
CID 58233535
9-(2-ethylhexyl)-9-(3-hexylphenyl)-2,7-dimethylfluorene
CID 140661828
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
2-[7-[9,9-bis[(3S)-3,7-dimethyloctyl]-7-methylfluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[9,9-bis[(2S)-2-methylbutyl]fluoren-2-yl]-9,9-bis[(2S)-2-methylbutyl]fluorene
CID 58648648
1-butan-2-yl-2-methylbenzene;1-butyl-4-(4-methylphenyl)benzene;ethane;ethene;2-methyl-9,9-diphenylfluorene;2-methylhexane;toluene
CID 144741454
N-[4-[4-(N-[4-[9-[4-(3,7-dimethyloctoxy)phenyl]-9-(2,5-dimethylphenyl)-7-methylfluoren-2-yl]phenyl]anilino)phenyl]phenyl]-4-methyl-N-phenylaniline
CID 58250992

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene?
The IUPAC name of 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene (CID 58371170) is 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene.
What is the SMILES notation for 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene?
The canonical SMILES for 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene is Cc1ccc2c(c1)C(c1cccc(CCC(C)CCCC(C)C)c1)(c1cccc(CCC(C)CCCC(C)C)c1)c1cc(C)ccc1-2.
What is the InChIKey of 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene?
The InChIKey is UPRCQUKVUODRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H62/c1-33(2)13-9-15-35(5)21-25-39-17-11-19-41(31-39)47(42-20-12-18-40(32-42)26-22-36(6)16-10-14-34(3)4)45-29-37(7)23-27-43(45)44-28-24-38(8)30-46(44)47/h11-12,17-20,23-24,27-36H,9-10,13-16,21-22,25-26H2,1-8H3.
What are the key properties of 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene?
9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene has a molecular weight of 627.01 g/mol, XLogP of 13.46, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[3-(3,7-dimethyloctyl)phenyl]-2,7-dimethylfluorene is sourced from PubChem (CID 58371170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).