9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen

C76H86O4 — CID 157077120

IUPAC9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen
SMILESC#CC#CC#COc1ccc(C2(c3ccc(OCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(OC#CC#CC#C)cc4)(c4ccc(OCCCCCC)cc4)c4cccc(C)c4-5)cc32)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C76H62O4.12H2/c1-7-11-15-19-48-77-63-37-29-59(30-38-63)75(60-31-39-64(40-32-60)78-49-20-16-12-8-2)70-25-23-24-56(6)74(70)69-47-28-58(54-73(69)75)57-27-46-68-67-45-26-55(5)52-71(67)76(72(68)53-57,61-33-41-65(42-34-61)79-50-21-17-13-9-3)62-35-43-66(44-36-62)80-51-22-18-14-10-4;;;;;;;;;;;;/h1,3,23-47,52-54H,8,10,12,14,16,18,20,22,49,51H2,2,4-6H3;12*1H
InChIKeyADCFKSILUCVDIC-UHFFFAOYSA-N
MW1063.52 g/mol
LogP19.52
Rot. Bonds19

About 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen

9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen (PubChem CID 157077120) has the molecular formula C76H86O4 and a molecular weight of 1063.52 g/mol. Its IUPAC name is 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen.

Molecular Properties

Compound Name9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen
PubChem CID157077120
Molecular FormulaC76H86O4
Molecular Weight1063.52 g/mol
Exact Mass1062.65
IUPAC Name9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen
SMILESC#CC#CC#COc1ccc(C2(c3ccc(OCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(OC#CC#CC#C)cc4)(c4ccc(OCCCCCC)cc4)c4cccc(C)c4-5)cc32)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C76H62O4.12H2/c1-7-11-15-19-48-77-63-37-29-59(30-38-63)75(60-31-39-64(40-32-60)78-49-20-16-12-8-2)70-25-23-24-56(6)74(70)69-47-28-58(54-73(69)75)57-27-46-68-67-45-26-55(5)52-71(67)76(72(68)53-57,61-33-41-65(42-34-61)79-50-21-17-13-9-3)62-35-43-66(44-36-62)80-51-22-18-14-10-4;;;;;;;;;;;;/h1,3,23-47,52-54H,8,10,12,14,16,18,20,22,49,51H2,2,4-6H3;12*1H
InChIKeyADCFKSILUCVDIC-UHFFFAOYSA-N
XLogP19.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.52
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen with MolForge

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Related Compounds

2-(9,9-dioctylfluoren-2-yl)-9,9-bis(4-hexa-1,3,5-triynoxyphenyl)-5-(9-methyl-9-octylfluoren-2-yl)fluorene
CID 59281016
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
[4-[2-[4-[2-[2-[7-[2-[10-(4-butylphenyl)-7-methylphenoxazin-3-yl]ethyl]-9-methyl-9-octa-1,3,5,7-tetraynylfluoren-2-yl]ethyl]-9-(4-hexoxyphenyl)-7-methylfluoren-9-yl]phenoxy]ethoxy]phenyl]methanamine
CID 59364914
9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
CID 123691695
9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
CID 59821626
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
CID 58274115
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
2-(2-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9,9-diphenylfluorene;1-methyl-7,9,9-triphenylfluorene;2-methyl-7,9,9-triphenylfluorene;5-methyl-2,9,9-triphenylfluorene;6-methyl-2,9,9-triphenylfluorene
CID 159751131
3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole
CID 59724439
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
2-(7-methyl-9,9-dioctylfluoren-2-yl)-5-(4-octoxyphenyl)thiophene
CID 71079155

Frequently Asked Questions

What is the IUPAC name of 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen?
The IUPAC name of 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen (CID 157077120) is 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen.
What is the SMILES notation for 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen?
The canonical SMILES for 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen is C#CC#CC#COc1ccc(C2(c3ccc(OCCCCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(OC#CC#CC#C)cc4)(c4ccc(OCCCCCC)cc4)c4cccc(C)c4-5)cc32)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen?
The InChIKey is ADCFKSILUCVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H62O4.12H2/c1-7-11-15-19-48-77-63-37-29-59(30-38-63)75(60-31-39-64(40-32-60)78-49-20-16-12-8-2)70-25-23-24-56(6)74(70)69-47-28-58(54-73(69)75)57-27-46-68-67-45-26-55(5)52-71(67)76(72(68)53-57,61-33-41-65(42-34-61)79-50-21-17-13-9-3)62-35-43-66(44-36-62)80-51-22-18-14-10-4;;;;;;;;;;;;/h1,3,23-47,52-54H,8,10,12,14,16,18,20,22,49,51H2,2,4-6H3;12*1H.
What are the key properties of 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen?
9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen has a molecular weight of 1063.52 g/mol, XLogP of 19.52, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hexa-1,3,5-triynoxyphenyl)-2-[9-(4-hexa-1,3,5-triynoxyphenyl)-9-(4-hexoxyphenyl)-5-methylfluoren-2-yl]-9-(4-hexoxyphenyl)-7-methylfluorene;molecular hydrogen is sourced from PubChem (CID 157077120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).