7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene

C207H168 — CID 158674016

IUPAC7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene
SMILESCC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9ccc%10cc(C(C)(C)C)cc%11ccc8c9c%10%11)ccc6-7)ccc4-5)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7ccc8cc(C(C)(C)C)cc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc%11ccc%12cc(C(C)(C)C)cc%13ccc%10c%11c%12%13)ccc8-9)ccc6-7)ccc4-5)c4ccc(c1)c2c34
InChIInChI=1S/C82H64.C70H58.C55H46/c1-45-35-54-13-11-46-15-25-59(67-33-23-55(36-45)75(54)77(46)67)52-21-31-65-63-29-19-50(41-71(63)81(7,8)73(65)43-52)48-17-27-61-62-28-18-49(40-70(62)80(5,6)69(61)39-48)51-20-30-64-66-32-22-53(44-74(66)82(9,10)72(64)42-51)60-26-16-47-12-14-56-37-58(79(2,3)4)38-57-24-34-68(60)78(47)76(56)57;1-67(2,3)49-31-45-13-11-39-15-23-51(57-29-21-47(33-49)63(45)65(39)57)43-19-27-55-53-25-17-41(35-59(53)69(7,8)61(55)37-43)42-18-26-54-56-28-20-44(38-62(56)70(9,10)60(54)36-42)52-24-16-40-12-14-46-32-50(68(4,5)6)34-48-22-30-58(52)66(40)64(46)48;1-53(2,3)39-25-35-11-9-31-13-19-41(45-23-17-37(27-39)49(35)51(31)45)33-15-21-43-44-22-16-34(30-48(44)55(7,8)47(43)29-33)42-20-14-32-10-12-36-26-40(54(4,5)6)28-38-18-24-46(42)52(32)50(36)38/h11-44H,1-10H3;11-38H,1-10H3;9-30H,1-8H3
InChIKeyIEHDZPLQMFGBOH-UHFFFAOYSA-N
MW2655.62 g/mol
LogP58.08
Rot. Bonds9

About 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene

7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene (PubChem CID 158674016) has the molecular formula C207H168 and a molecular weight of 2655.62 g/mol. Its IUPAC name is 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene.

Molecular Properties

Compound Name7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene
PubChem CID158674016
Molecular FormulaC207H168
Molecular Weight2655.62 g/mol
Exact Mass2653.31
IUPAC Name7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene
SMILESCC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9ccc%10cc(C(C)(C)C)cc%11ccc8c9c%10%11)ccc6-7)ccc4-5)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7ccc8cc(C(C)(C)C)cc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc%11ccc%12cc(C(C)(C)C)cc%13ccc%10c%11c%12%13)ccc8-9)ccc6-7)ccc4-5)c4ccc(c1)c2c34
InChIInChI=1S/C82H64.C70H58.C55H46/c1-45-35-54-13-11-46-15-25-59(67-33-23-55(36-45)75(54)77(46)67)52-21-31-65-63-29-19-50(41-71(63)81(7,8)73(65)43-52)48-17-27-61-62-28-18-49(40-70(62)80(5,6)69(61)39-48)51-20-30-64-66-32-22-53(44-74(66)82(9,10)72(64)42-51)60-26-16-47-12-14-56-37-58(79(2,3)4)38-57-24-34-68(60)78(47)76(56)57;1-67(2,3)49-31-45-13-11-39-15-23-51(57-29-21-47(33-49)63(45)65(39)57)43-19-27-55-53-25-17-41(35-59(53)69(7,8)61(55)37-43)42-18-26-54-56-28-20-44(38-62(56)70(9,10)60(54)36-42)52-24-16-40-12-14-46-32-50(68(4,5)6)34-48-22-30-58(52)66(40)64(46)48;1-53(2,3)39-25-35-11-9-31-13-19-41(45-23-17-37(27-39)49(35)51(31)45)33-15-21-43-44-22-16-34(30-48(44)55(7,8)47(43)29-33)42-20-14-32-10-12-36-26-40(54(4,5)6)28-38-18-24-46(42)52(32)50(36)38/h11-44H,1-10H3;11-38H,1-10H3;9-30H,1-8H3
InChIKeyIEHDZPLQMFGBOH-UHFFFAOYSA-N
XLogP58.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms207
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002655.62
LogP ≤ 558.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene with MolForge

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Related Compounds

tris(1-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-7-methylpyrene);tris(1-(9,9-dimethylfluoren-2-yl)-7-methylpyrene)
CID 159712751
5-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]benzo[c]phenanthrene
CID 58390243
7-tert-butyl-1-[7-(methoxymethyl)-9,9-dimethylfluoren-2-yl]pyrene
CID 90398149
7-tert-butyl-1-[4-[7-[7-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-3-methylpyrene
CID 123159815
7-tert-butyl-1-[2-[7-[7-[2-(7-tert-butylpyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene;7-tert-butyl-1-[2-[7-[9,9-dimethyl-7-(2-pyren-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene;7-tert-butyl-1-[2-[7-[9,9-dimethyl-7-(2-pyren-4-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene;1-[2-[7-[9,9-dimethyl-7-(2-pyren-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene;4-[2-[7-[9,9-dimethyl-7-(2-pyren-4-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene;1-[2-[9,9-dimethyl-7-(2-pyren-1-ylphenyl)fluoren-2-yl]phenyl]pyrene;molecular hydrogen
CID 159314429
17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene
CID 58402162
1-[6-[9,9-dimethyl-7-(6-pyren-1-ylnaphthalen-2-yl)fluoren-2-yl]naphthalen-2-yl]pyrene
CID 59217018
2-tert-butyl-4-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-7-(2-methylpropyl)pyrene
CID 59254091
8-[3-[3-(7-tert-butylpyren-1-yl)phenyl]phenyl]-19,19-dimethylpentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 123649373
9,9-dimethylfluorene;7-methyl-1-(6-methylnaphthalen-2-yl)pyrene
CID 91155116
4-[2-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9-(4-hydroxybutyl)fluoren-9-yl]butan-1-ol
CID 90400378
2,7-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene
CID 160842443

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene?
The IUPAC name of 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene (CID 158674016) is 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene.
What is the SMILES notation for 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene?
The canonical SMILES for 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene is CC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9ccc%10cc(C(C)(C)C)cc%11ccc8c9c%10%11)ccc6-7)ccc4-5)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7ccc8cc(C(C)(C)C)cc9ccc6c7c89)ccc4-5)c4ccc(c1)c2c34.Cc1cc2ccc3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc%11ccc%12cc(C(C)(C)C)cc%13ccc%10c%11c%12%13)ccc8-9)ccc6-7)ccc4-5)c4ccc(c1)c2c34.
What is the InChIKey of 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene?
The InChIKey is IEHDZPLQMFGBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H64.C70H58.C55H46/c1-45-35-54-13-11-46-15-25-59(67-33-23-55(36-45)75(54)77(46)67)52-21-31-65-63-29-19-50(41-71(63)81(7,8)73(65)43-52)48-17-27-61-62-28-18-49(40-70(62)80(5,6)69(61)39-48)51-20-30-64-66-32-22-53(44-74(66)82(9,10)72(64)42-51)60-26-16-47-12-14-56-37-58(79(2,3)4)38-57-24-34-68(60)78(47)76(56)57;1-67(2,3)49-31-45-13-11-39-15-23-51(57-29-21-47(33-49)63(45)65(39)57)43-19-27-55-53-25-17-41(35-59(53)69(7,8)61(55)37-43)42-18-26-54-56-28-20-44(38-62(56)70(9,10)60(54)36-42)52-24-16-40-12-14-46-32-50(68(4,5)6)34-48-22-30-58(52)66(40)64(46)48;1-53(2,3)39-25-35-11-9-31-13-19-41(45-23-17-37(27-39)49(35)51(31)45)33-15-21-43-44-22-16-34(30-48(44)55(7,8)47(43)29-33)42-20-14-32-10-12-36-26-40(54(4,5)6)28-38-18-24-46(42)52(32)50(36)38/h11-44H,1-10H3;11-38H,1-10H3;9-30H,1-8H3.
What are the key properties of 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene?
7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene has a molecular weight of 2655.62 g/mol, XLogP of 58.08, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene;7-tert-butyl-1-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]pyrene;1-[7-[7-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-7-methylpyrene is sourced from PubChem (CID 158674016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).