2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene

C41H40 — CID 59782412

IUPAC2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
SMILESCc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4ccc(C(C)(C)C)cc4)ccc1-3)C(C)(C)c1ccccc1-2
InChIInChI=1S/C41H40/c1-25-21-34-30-11-9-10-12-35(30)40(5,6)38(34)24-33(25)28-16-20-32-31-19-15-27(22-36(31)41(7,8)37(32)23-28)26-13-17-29(18-14-26)39(2,3)4/h9-24H,1-8H3
InChIKeyDMLGUYAOHCMHGN-UHFFFAOYSA-N
MW532.77 g/mol
LogP11.24
Rot. Bonds2

About 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene

2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene (PubChem CID 59782412) has the molecular formula C41H40 and a molecular weight of 532.77 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
PubChem CID59782412
Molecular FormulaC41H40
Molecular Weight532.77 g/mol
Exact Mass532.31
IUPAC Name2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
SMILESCc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4ccc(C(C)(C)C)cc4)ccc1-3)C(C)(C)c1ccccc1-2
InChIInChI=1S/C41H40/c1-25-21-34-30-11-9-10-12-35(30)40(5,6)38(34)24-33(25)28-16-20-32-31-19-15-27(22-36(31)41(7,8)37(32)23-28)26-13-17-29(18-14-26)39(2,3)4/h9-24H,1-8H3
InChIKeyDMLGUYAOHCMHGN-UHFFFAOYSA-N
XLogP11.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.77
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
CID 59782352
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
2-[7-(9,9-dimethylfluoren-2-yl)-3,6,9,9-tetramethylfluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66721808
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)-4-methylaniline
CID 58389703
N,N-bis(4-tert-butylphenyl)-3,5-bis(9,9-dimethylfluoren-2-yl)aniline
CID 58389668
2-tert-butyl-7-[7-[7-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-[6-(6-tert-butylnaphthalen-2-yl)naphthalen-2-yl]-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,9,9-trimethyl-2-(6-naphthalen-2-ylnaphthalen-2-yl)fluorene;2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-(3-methyl-6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluorene;7-[7-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 158840573
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene?
The IUPAC name of 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene (CID 59782412) is 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene.
What is the SMILES notation for 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene?
The canonical SMILES for 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene is Cc1cc2c(cc1-c1ccc3c(c1)C(C)(C)c1cc(-c4ccc(C(C)(C)C)cc4)ccc1-3)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene?
The InChIKey is DMLGUYAOHCMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40/c1-25-21-34-30-11-9-10-12-35(30)40(5,6)38(34)24-33(25)28-16-20-32-31-19-15-27(22-36(31)41(7,8)37(32)23-28)26-13-17-29(18-14-26)39(2,3)4/h9-24H,1-8H3.
What are the key properties of 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene?
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene has a molecular weight of 532.77 g/mol, XLogP of 11.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene is sourced from PubChem (CID 59782412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).