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

C85H68 — CID 123247507

IUPAC2-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
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc(-c8ccc9ccc%10c%11c9c8CC=C%11CC=C%10)cc7)cc6)ccc4-5)ccc2-3)ccc1-c1ccc2c3c4c(ccc13)C=C(C(C)(C)C)CC4=CC2
InChIInChI=1S/C85H68/c1-49-42-58(27-33-66(49)68-35-25-57-22-23-63-43-65(83(2,3)4)44-64-32-41-74(68)82(57)80(63)64)60-29-37-70-72-39-31-62(48-78(72)85(7,8)76(70)46-60)61-30-38-71-69-36-28-59(45-75(69)84(5,6)77(71)47-61)52-14-12-50(13-15-52)51-16-18-53(19-17-51)67-34-24-56-21-20-54-10-9-11-55-26-40-73(67)81(56)79(54)55/h9-10,12-21,23-39,41-42,44-48H,11,22,40,43H2,1-8H3
InChIKeyKAOKGHGIDGFOBP-UHFFFAOYSA-N
MW1089.48 g/mol
LogP23.05
Rot. Bonds6

About 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

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 (PubChem CID 123247507) has the molecular formula C85H68 and a molecular weight of 1089.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID123247507
Molecular FormulaC85H68
Molecular Weight1089.48 g/mol
Exact Mass1088.53
IUPAC Name2-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
SMILESCc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc(-c8ccc9ccc%10c%11c9c8CC=C%11CC=C%10)cc7)cc6)ccc4-5)ccc2-3)ccc1-c1ccc2c3c4c(ccc13)C=C(C(C)(C)C)CC4=CC2
InChIInChI=1S/C85H68/c1-49-42-58(27-33-66(49)68-35-25-57-22-23-63-43-65(83(2,3)4)44-64-32-41-74(68)82(57)80(63)64)60-29-37-70-72-39-31-62(48-78(72)85(7,8)76(70)46-60)61-30-38-71-69-36-28-59(45-75(69)84(5,6)77(71)47-61)52-14-12-50(13-15-52)51-16-18-53(19-17-51)67-34-24-56-21-20-54-10-9-11-55-26-40-73(67)81(56)79(54)55/h9-10,12-21,23-39,41-42,44-48H,11,22,40,43H2,1-8H3
InChIKeyKAOKGHGIDGFOBP-UHFFFAOYSA-N
XLogP23.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.48
LogP ≤ 523.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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
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
8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
CID 123242864
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
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
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
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
2-(4,6-dihydropyren-1-yl)-8-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758533
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7ccc(-c8ccc9ccc%10c%11c9c8CC=C%11CC=C%10)cc7)cc6)ccc4-5)ccc2-3)ccc1-c1ccc2c3c4c(ccc13)C=C(C(C)(C)C)CC4=CC2.
What is the InChIKey of 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?
The InChIKey is KAOKGHGIDGFOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H68/c1-49-42-58(27-33-66(49)68-35-25-57-22-23-63-43-65(83(2,3)4)44-64-32-41-74(68)82(57)80(63)64)60-29-37-70-72-39-31-62(48-78(72)85(7,8)76(70)46-60)61-30-38-71-69-36-28-59(45-75(69)84(5,6)77(71)47-61)52-14-12-50(13-15-52)51-16-18-53(19-17-51)67-34-24-56-21-20-54-10-9-11-55-26-40-73(67)81(56)79(54)55/h9-10,12-21,23-39,41-42,44-48H,11,22,40,43H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1089.48 g/mol, XLogP of 23.05, 6 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-[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 is sourced from PubChem (CID 123247507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).