2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene

C52H46 — CID 58881044

IUPAC2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7ccccc7)c6)ccc4-5)cc3)ccc1-2
InChIInChI=1S/C52H46/c1-50(2,3)41-23-27-45-44-25-21-39(30-47(44)52(6,7)49(45)32-41)35-18-16-34(17-19-35)38-20-24-42-43-26-22-40(31-48(43)51(4,5)46(42)29-38)37-15-11-14-36(28-37)33-12-9-8-10-13-33/h8-32H,1-7H3
InChIKeyRBJQDCAAXJJTFJ-UHFFFAOYSA-N
MW670.94 g/mol
LogP14.26
Rot. Bonds4

About 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene

2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene (PubChem CID 58881044) has the molecular formula C52H46 and a molecular weight of 670.94 g/mol. Its IUPAC name is 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
PubChem CID58881044
Molecular FormulaC52H46
Molecular Weight670.94 g/mol
Exact Mass670.36
IUPAC Name2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7ccccc7)c6)ccc4-5)cc3)ccc1-2
InChIInChI=1S/C52H46/c1-50(2,3)41-23-27-45-44-25-21-39(30-47(44)52(6,7)49(45)32-41)35-18-16-34(17-19-35)38-20-24-42-43-26-22-40(31-48(43)51(4,5)46(42)29-38)37-15-11-14-36(28-37)33-12-9-8-10-13-33/h8-32H,1-7H3
InChIKeyRBJQDCAAXJJTFJ-UHFFFAOYSA-N
XLogP14.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.94
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 58389701
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-phenylphenyl)phenyl]fluorene
CID 58986922
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
9,9-dimethyl-2-(4-methylphenyl)-7-(2-phenylbutan-2-yl)fluorene
CID 143306948
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene?
The IUPAC name of 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene (CID 58881044) is 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene?
The canonical SMILES for 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene is CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(-c7ccccc7)c6)ccc4-5)cc3)ccc1-2.
What is the InChIKey of 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene?
The InChIKey is RBJQDCAAXJJTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46/c1-50(2,3)41-23-27-45-44-25-21-39(30-47(44)52(6,7)49(45)32-41)35-18-16-34(17-19-35)38-20-24-42-43-26-22-40(31-48(43)51(4,5)46(42)29-38)37-15-11-14-36(28-37)33-12-9-8-10-13-33/h8-32H,1-7H3.
What are the key properties of 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene?
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene has a molecular weight of 670.94 g/mol, XLogP of 14.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene is sourced from PubChem (CID 58881044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).