2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene

C38H42 — CID 123621511

IUPAC2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
SMILESCC(C)Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)ccc1-2
InChIInChI=1S/C38H42/c1-23(2)18-24-10-14-28-29-15-11-25(20-33(29)37(6,7)32(28)19-24)26-12-16-30-31-17-13-27(36(3,4)5)22-35(31)38(8,9)34(30)21-26/h10-17,19-23H,18H2,1-9H3
InChIKeyOQCLNXWXDMWGMY-UHFFFAOYSA-N
MW498.75 g/mol
LogP10.46
Rot. Bonds3

About 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene

2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene (PubChem CID 123621511) has the molecular formula C38H42 and a molecular weight of 498.75 g/mol. Its IUPAC name is 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
PubChem CID123621511
Molecular FormulaC38H42
Molecular Weight498.75 g/mol
Exact Mass498.33
IUPAC Name2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
SMILESCC(C)Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)ccc1-2
InChIInChI=1S/C38H42/c1-23(2)18-24-10-14-28-29-15-11-25(20-33(29)37(6,7)32(28)19-24)26-12-16-30-31-17-13-27(36(3,4)5)22-35(31)38(8,9)34(30)21-26/h10-17,19-23H,18H2,1-9H3
InChIKeyOQCLNXWXDMWGMY-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.75
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
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-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134294416
2-tert-butyl-4-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-7-(2-methylpropyl)pyrene
CID 59254091
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene
CID 143426439
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
4-tert-butyl-3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]aniline
CID 58389605
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
2,7-ditert-butyl-4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3-methylphenyl]-2-methylphenyl]-9,9-dimethylfluorene
CID 58986915
9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
3-(7-tert-butyl-9,9-dimethylfluoren-2-yl)isoquinoline
CID 59798576

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene (CID 123621511) is 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene is CC(C)Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)ccc1-2.
What is the InChIKey of 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene?
The InChIKey is OQCLNXWXDMWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42/c1-23(2)18-24-10-14-28-29-15-11-25(20-33(29)37(6,7)32(28)19-24)26-12-16-30-31-17-13-27(36(3,4)5)22-35(31)38(8,9)34(30)21-26/h10-17,19-23H,18H2,1-9H3.
What are the key properties of 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene?
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene has a molecular weight of 498.75 g/mol, XLogP of 10.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 123621511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).