7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene

C120H120Br6 — CID 141308541

IUPAC7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene
SMILESCCCCCCc1ccc2c(c1-c1c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c1-c1c(CCCCCC)ccc3c1Cc1cc(Br)ccc1-3)Cc1cc(Br)ccc1-2
InChIInChI=1S/C120H120Br6/c1-7-13-19-25-31-73-37-49-97-91-55-43-85(121)61-79(91)67-103(97)109(73)115-116(110-74(32-26-20-14-8-2)38-50-98-92-56-44-86(122)62-80(92)68-104(98)110)118(112-76(34-28-22-16-10-4)40-52-100-94-58-46-88(124)64-82(94)70-106(100)112)120(114-78(36-30-24-18-12-6)42-54-102-96-60-48-90(126)66-84(96)72-108(102)114)119(113-77(35-29-23-17-11-5)41-53-101-95-59-47-89(125)65-83(95)71-107(101)113)117(115)111-75(33-27-21-15-9-3)39-51-99-93-57-45-87(123)63-81(93)69-105(99)111/h37-66H,7-36,67-72H2,1-6H3
InChIKeyPSBFKUSRDRSOEN-UHFFFAOYSA-N
MW2041.70 g/mol
LogP38.43
Rot. Bonds36

About 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene

7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene (PubChem CID 141308541) has the molecular formula C120H120Br6 and a molecular weight of 2041.70 g/mol. Its IUPAC name is 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene
PubChem CID141308541
Molecular FormulaC120H120Br6
Molecular Weight2041.70 g/mol
Exact Mass2034.45
IUPAC Name7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene
SMILESCCCCCCc1ccc2c(c1-c1c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c1-c1c(CCCCCC)ccc3c1Cc1cc(Br)ccc1-3)Cc1cc(Br)ccc1-2
InChIInChI=1S/C120H120Br6/c1-7-13-19-25-31-73-37-49-97-91-55-43-85(121)61-79(91)67-103(97)109(73)115-116(110-74(32-26-20-14-8-2)38-50-98-92-56-44-86(122)62-80(92)68-104(98)110)118(112-76(34-28-22-16-10-4)40-52-100-94-58-46-88(124)64-82(94)70-106(100)112)120(114-78(36-30-24-18-12-6)42-54-102-96-60-48-90(126)66-84(96)72-108(102)114)119(113-77(35-29-23-17-11-5)41-53-101-95-59-47-89(125)65-83(95)71-107(101)113)117(115)111-75(33-27-21-15-9-3)39-51-99-93-57-45-87(123)63-81(93)69-105(99)111/h37-66H,7-36,67-72H2,1-6H3
InChIKeyPSBFKUSRDRSOEN-UHFFFAOYSA-N
XLogP38.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002041.70
LogP ≤ 538.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihexyl-9H-fluorene
CID 22141601
(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
CID 141103230
2-butyl-1-phenyl-9H-fluorene
CID 154085968
1-butyl-2-decyl-9H-fluorene
CID 151429799
5,13-dibromo-9-tetradecyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 90257174
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
acetic acid;(7-chloro-2-octacosyl-9H-fluoren-1-yl)methanol
CID 175103428
4-bromo-2-dodecylphenol
CID 25207881
4-bromo-2-hexylphenol
CID 22134514
sodium;2,7-dibromo-9H-fluorene;undecyl sulfate
CID 175367390
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
5-(5-bromo-2-hexylphenyl)-2H-tetrazole
CID 167061824

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene?
The IUPAC name of 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene (CID 141308541) is 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene.
What is the SMILES notation for 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene?
The canonical SMILES for 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene is CCCCCCc1ccc2c(c1-c1c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c(-c3c(CCCCCC)ccc4c3Cc3cc(Br)ccc3-4)c1-c1c(CCCCCC)ccc3c1Cc1cc(Br)ccc1-3)Cc1cc(Br)ccc1-2.
What is the InChIKey of 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene?
The InChIKey is PSBFKUSRDRSOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H120Br6/c1-7-13-19-25-31-73-37-49-97-91-55-43-85(121)61-79(91)67-103(97)109(73)115-116(110-74(32-26-20-14-8-2)38-50-98-92-56-44-86(122)62-80(92)68-104(98)110)118(112-76(34-28-22-16-10-4)40-52-100-94-58-46-88(124)64-82(94)70-106(100)112)120(114-78(36-30-24-18-12-6)42-54-102-96-60-48-90(126)66-84(96)72-108(102)114)119(113-77(35-29-23-17-11-5)41-53-101-95-59-47-89(125)65-83(95)71-107(101)113)117(115)111-75(33-27-21-15-9-3)39-51-99-93-57-45-87(123)63-81(93)69-105(99)111/h37-66H,7-36,67-72H2,1-6H3.
What are the key properties of 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene?
7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene has a molecular weight of 2041.70 g/mol, XLogP of 38.43, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene is sourced from PubChem (CID 141308541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).