9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene

C62H50 — CID 123539490

IUPAC9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)cc4)cc3)c3cccc-2c13
InChIInChI=1S/C62H50/c1-60(2,3)44-26-30-46-52-13-10-12-51-45(31-32-53(59(51)52)54(46)36-44)40-21-19-38(20-22-40)37-15-17-39(18-16-37)41-23-27-49-50-29-25-43(35-58(50)62(6,7)57(49)33-41)42-24-28-48-47-11-8-9-14-55(47)61(4,5)56(48)34-42/h8-36H,1-7H3
InChIKeyVDTHBFNUNYQOLK-UHFFFAOYSA-N
MW795.08 g/mol
LogP17.07
Rot. Bonds4

About 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene

9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene (PubChem CID 123539490) has the molecular formula C62H50 and a molecular weight of 795.08 g/mol. Its IUPAC name is 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene.

Molecular Properties

Compound Name9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
PubChem CID123539490
Molecular FormulaC62H50
Molecular Weight795.08 g/mol
Exact Mass794.39
IUPAC Name9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)cc4)cc3)c3cccc-2c13
InChIInChI=1S/C62H50/c1-60(2,3)44-26-30-46-52-13-10-12-51-45(31-32-53(59(51)52)54(46)36-44)40-21-19-38(20-22-40)37-15-17-39(18-16-37)41-23-27-49-50-29-25-43(35-58(50)62(6,7)57(49)33-41)42-24-28-48-47-11-8-9-14-55(47)61(4,5)56(48)34-42/h8-36H,1-7H3
InChIKeyVDTHBFNUNYQOLK-UHFFFAOYSA-N
XLogP17.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.08
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[3-(9,9-dimethylfluoren-2-yl)-5-fluoranthen-3-ylphenyl]fluoranthene
CID 166019404
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158
3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]fluoranthene
CID 58569056
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
CID 123322514
3-[6-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]fluoranthene
CID 58569042
3-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-5-phenylphenyl]fluoranthene
CID 58569427
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
5-(9,9-dimethylfluoren-2-yl)-13-[4-(9,9-dimethylfluoren-2-yl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156217
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene?
The IUPAC name of 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene (CID 123539490) is 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene.
What is the SMILES notation for 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene?
The canonical SMILES for 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene is CC(C)(C)c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5-6)cc4)cc3)c3cccc-2c13.
What is the InChIKey of 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene?
The InChIKey is VDTHBFNUNYQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50/c1-60(2,3)44-26-30-46-52-13-10-12-51-45(31-32-53(59(51)52)54(46)36-44)40-21-19-38(20-22-40)37-15-17-39(18-16-37)41-23-27-49-50-29-25-43(35-58(50)62(6,7)57(49)33-41)42-24-28-48-47-11-8-9-14-55(47)61(4,5)56(48)34-42/h8-36H,1-7H3.
What are the key properties of 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene?
9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene has a molecular weight of 795.08 g/mol, XLogP of 17.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene is sourced from PubChem (CID 123539490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).