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

C84H64 — CID 123837986

IUPAC3-[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
SMILESCC(C)(C)C1=Cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c%13c(cccc%11%13)-c%11ccccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)cc4)c4c3c2C(=CC4)C1
InChIInChI=1S/C84H64/c1-82(2,3)62-43-60-28-27-55-29-35-63(73-40-34-61(44-62)79(60)80(55)73)53-23-19-50(20-24-53)49-15-17-51(18-16-49)56-30-36-67-69-38-32-58(47-77(69)83(4,5)75(67)45-56)59-33-39-70-68-37-31-57(46-76(68)84(6,7)78(70)48-59)52-21-25-54(26-22-52)64-41-42-74-66-12-9-8-11-65(66)72-14-10-13-71(64)81(72)74/h8-39,41-43,45-48H,40,44H2,1-7H3
InChIKeyAWODLNBRKNNLGQ-UHFFFAOYSA-N
MW1073.44 g/mol
LogP23.03
Rot. Bonds6

About 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

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 (PubChem CID 123837986) has the molecular formula C84H64 and a molecular weight of 1073.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID123837986
Molecular FormulaC84H64
Molecular Weight1073.44 g/mol
Exact Mass1072.50
IUPAC Name3-[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
SMILESCC(C)(C)C1=Cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c%13c(cccc%11%13)-c%11ccccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)cc4)c4c3c2C(=CC4)C1
InChIInChI=1S/C84H64/c1-82(2,3)62-43-60-28-27-55-29-35-63(73-40-34-61(44-62)79(60)80(55)73)53-23-19-50(20-24-53)49-15-17-51(18-16-49)56-30-36-67-69-38-32-58(47-77(69)83(4,5)75(67)45-56)59-33-39-70-68-37-31-57(46-76(68)84(6,7)78(70)48-59)52-21-25-54(26-22-52)64-41-42-74-66-12-9-8-11-65(66)72-14-10-13-71(64)81(72)74/h8-39,41-43,45-48H,40,44H2,1-7H3
InChIKeyAWODLNBRKNNLGQ-UHFFFAOYSA-N
XLogP23.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.44
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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-[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
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-[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-[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
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
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-[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-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
9-tert-butyl-3-[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]fluoranthene
CID 123539490
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1=Cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12c%13c(cccc%11%13)-c%11ccccc%11-%12)cc%10)ccc8-9)ccc6-7)cc5)cc4)c4c3c2C(=CC4)C1.
What is the InChIKey of 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?
The InChIKey is AWODLNBRKNNLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H64/c1-82(2,3)62-43-60-28-27-55-29-35-63(73-40-34-61(44-62)79(60)80(55)73)53-23-19-50(20-24-53)49-15-17-51(18-16-49)56-30-36-67-69-38-32-58(47-77(69)83(4,5)75(67)45-56)59-33-39-70-68-37-31-57(46-76(68)84(6,7)78(70)48-59)52-21-25-54(26-22-52)64-41-42-74-66-12-9-8-11-65(66)72-14-10-13-71(64)81(72)74/h8-39,41-43,45-48H,40,44H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 1073.44 g/mol, XLogP of 23.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123837986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).