2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene

C84H66 — CID 123370452

IUPAC2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene
SMILESCC(C)(C)C1=Cc2ccc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc(-c%10ccc(-c%11ccc(-c%12cccc%13ccccc%12%13)cc%11)cc%10)cc9)ccc7-8)ccc5-6)cc4)ccc4c3c2C(=CC4)C1
InChIInChI=1S/C84H66/c1-82(2,3)67-45-65-32-31-60-33-39-70(75-44-38-66(46-67)80(65)81(60)75)59-29-25-56(26-30-59)62-35-41-72-74-43-37-64(50-79(74)84(6,7)77(72)48-62)63-36-42-73-71-40-34-61(47-76(71)83(4,5)78(73)49-63)55-21-19-53(20-22-55)51-15-17-52(18-16-51)54-23-27-58(28-24-54)69-14-10-12-57-11-8-9-13-68(57)69/h8-30,32-44,46-50H,31,45H2,1-7H3
InChIKeyKMEQDZIDEROWKP-UHFFFAOYSA-N
MW1075.45 g/mol
LogP23.05
Rot. Bonds7

About 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene

2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene (PubChem CID 123370452) has the molecular formula C84H66 and a molecular weight of 1075.45 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene.

Molecular Properties

Compound Name2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene
PubChem CID123370452
Molecular FormulaC84H66
Molecular Weight1075.45 g/mol
Exact Mass1074.52
IUPAC Name2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene
SMILESCC(C)(C)C1=Cc2ccc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc(-c%10ccc(-c%11ccc(-c%12cccc%13ccccc%12%13)cc%11)cc%10)cc9)ccc7-8)ccc5-6)cc4)ccc4c3c2C(=CC4)C1
InChIInChI=1S/C84H66/c1-82(2,3)67-45-65-32-31-60-33-39-70(75-44-38-66(46-67)80(65)81(60)75)59-29-25-56(26-30-59)62-35-41-72-74-43-37-64(50-79(74)84(6,7)77(72)48-62)63-36-42-73-71-40-34-61(47-76(71)83(4,5)78(73)49-63)55-21-19-53(20-22-55)51-15-17-52(18-16-51)54-23-27-58(28-24-54)69-14-10-12-57-11-8-9-13-68(57)69/h8-30,32-44,46-50H,31,45H2,1-7H3
InChIKeyKMEQDZIDEROWKP-UHFFFAOYSA-N
XLogP23.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.45
LogP ≤ 523.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene with MolForge

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Related Compounds

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
7-[4-[4-[4-[7-[7-[4-(7-tert-butyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene;3-[4-[4-[4-[7-[7-[4-(4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene;7-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene;7-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-12-phenylbenzo[k]fluoranthene
CID 161185600
7-tert-butyl-1-[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]pyrene
CID 123723940
2-tert-butyl-6-[4-[7-[7-[4-[4-(8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]-1,9-dihydropyrene
CID 123247507
7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene
CID 123711034
6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
CID 161480275
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
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
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-tert-butyl-8-[4-[4-[7-(9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]phenyl]-2-methylphenyl]-1,9-dihydropyrene
CID 140586605

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene?
The IUPAC name of 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene (CID 123370452) is 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene.
What is the SMILES notation for 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene?
The canonical SMILES for 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene is CC(C)(C)C1=Cc2ccc3c(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc(-c%10ccc(-c%11ccc(-c%12cccc%13ccccc%12%13)cc%11)cc%10)cc9)ccc7-8)ccc5-6)cc4)ccc4c3c2C(=CC4)C1.
What is the InChIKey of 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene?
The InChIKey is KMEQDZIDEROWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66/c1-82(2,3)67-45-65-32-31-60-33-39-70(75-44-38-66(46-67)80(65)81(60)75)59-29-25-56(26-30-59)62-35-41-72-74-43-37-64(50-79(74)84(6,7)77(72)48-62)63-36-42-73-71-40-34-61(47-76(71)83(4,5)78(73)49-63)55-21-19-53(20-22-55)51-15-17-52(18-16-51)54-23-27-58(28-24-54)69-14-10-12-57-11-8-9-13-68(57)69/h8-30,32-44,46-50H,31,45H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene?
2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene has a molecular weight of 1075.45 g/mol, XLogP of 23.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-[7-[9,9-dimethyl-7-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-1,9-dihydropyrene is sourced from PubChem (CID 123370452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).