3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene

C62H68 — CID 144730340

IUPAC3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene
SMILESCC(C)(C)C1=CC=C2c3c(-c4ccc5c6c(cccc46)-c4cc(-c6cc(C(C)(C)C)cc7c6-c6ccc(C(C)(C)C)cc6C7(C)C)ccc4-5)cc(C(C)(C)C)cc3C(C)(C)C2C1
InChIInChI=1S/C62H68/c1-57(2,3)36-21-24-45-50(31-36)61(13,14)52-33-38(59(7,8)9)29-47(55(45)52)35-20-23-40-44-27-26-41(42-18-17-19-43(54(42)44)48(40)28-35)49-30-39(60(10,11)12)34-53-56(49)46-25-22-37(58(4,5)6)32-51(46)62(53,15)16/h17-31,33-34,51H,32H2,1-16H3
InChIKeyUONLLKPLJMFBEU-UHFFFAOYSA-N
MW813.23 g/mol
LogP17.69
Rot. Bonds2

About 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene

3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene (PubChem CID 144730340) has the molecular formula C62H68 and a molecular weight of 813.23 g/mol. Its IUPAC name is 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene.

Molecular Properties

Compound Name3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene
PubChem CID144730340
Molecular FormulaC62H68
Molecular Weight813.23 g/mol
Exact Mass812.53
IUPAC Name3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene
SMILESCC(C)(C)C1=CC=C2c3c(-c4ccc5c6c(cccc46)-c4cc(-c6cc(C(C)(C)C)cc7c6-c6ccc(C(C)(C)C)cc6C7(C)C)ccc4-5)cc(C(C)(C)C)cc3C(C)(C)C2C1
InChIInChI=1S/C62H68/c1-57(2,3)36-21-24-45-50(31-36)61(13,14)52-33-38(59(7,8)9)29-47(55(45)52)35-20-23-40-44-27-26-41(42-18-17-19-43(54(42)44)48(40)28-35)49-30-39(60(10,11)12)34-53-56(49)46-25-22-37(58(4,5)6)32-51(46)62(53,15)16/h17-31,33-34,51H,32H2,1-16H3
InChIKeyUONLLKPLJMFBEU-UHFFFAOYSA-N
XLogP17.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.23
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
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
3-[6-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)naphthalen-2-yl]benzo[e]pyrene
CID 58454013
9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
CID 123539490
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
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
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
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
12-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)-3,19-dinaphthalen-1-ylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(32),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25(33),26,28,30-heptadecaene
CID 123655668
3-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123837986
N-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenylaniline
CID 176836108

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene?
The IUPAC name of 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene (CID 144730340) is 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene.
What is the SMILES notation for 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene?
The canonical SMILES for 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene is CC(C)(C)C1=CC=C2c3c(-c4ccc5c6c(cccc46)-c4cc(-c6cc(C(C)(C)C)cc7c6-c6ccc(C(C)(C)C)cc6C7(C)C)ccc4-5)cc(C(C)(C)C)cc3C(C)(C)C2C1.
What is the InChIKey of 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene?
The InChIKey is UONLLKPLJMFBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68/c1-57(2,3)36-21-24-45-50(31-36)61(13,14)52-33-38(59(7,8)9)29-47(55(45)52)35-20-23-40-44-27-26-41(42-18-17-19-43(54(42)44)48(40)28-35)49-30-39(60(10,11)12)34-53-56(49)46-25-22-37(58(4,5)6)32-51(46)62(53,15)16/h17-31,33-34,51H,32H2,1-16H3.
What are the key properties of 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene?
3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene has a molecular weight of 813.23 g/mol, XLogP of 17.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-ditert-butyl-9,9-dimethyl-8,8a-dihydrofluoren-4-yl)-8-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)fluoranthene is sourced from PubChem (CID 144730340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).