3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole

C84H84FN3O3 — CID 123697086

IUPAC3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole
SMILESCCC(F)=C(C)Oc1ccc(OCc2ccc(C(CC(C)(C)C)C(C)(C)C(C)(C)CC(c3ccc(COc4cccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)cc3)C(C)C)cc2)cc1
InChIInChI=1S/C84H84FN3O3/c1-12-75(85)56(4)91-65-44-42-64(43-45-65)89-53-58-34-38-60(39-35-58)74(52-82(5,6)7)84(10,11)83(8,9)51-73(55(2)3)59-36-32-57(33-37-59)54-90-66-23-21-22-61(48-66)86-80-46-40-62(87-76-28-17-13-24-67(76)68-25-14-18-29-77(68)87)49-71(80)72-50-63(41-47-81(72)86)88-78-30-19-15-26-69(78)70-27-16-20-31-79(70)88/h13-50,55,73-74H,12,51-54H2,1-11H3
InChIKeyHCOXJTAMMHQIJL-UHFFFAOYSA-N
MW1202.61 g/mol
LogP23.53
Rot. Bonds20

About 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole

3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole (PubChem CID 123697086) has the molecular formula C84H84FN3O3 and a molecular weight of 1202.61 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole
PubChem CID123697086
Molecular FormulaC84H84FN3O3
Molecular Weight1202.61 g/mol
Exact Mass1201.65
IUPAC Name3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole
SMILESCCC(F)=C(C)Oc1ccc(OCc2ccc(C(CC(C)(C)C)C(C)(C)C(C)(C)CC(c3ccc(COc4cccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)cc3)C(C)C)cc2)cc1
InChIInChI=1S/C84H84FN3O3/c1-12-75(85)56(4)91-65-44-42-64(43-45-65)89-53-58-34-38-60(39-35-58)74(52-82(5,6)7)84(10,11)83(8,9)51-73(55(2)3)59-36-32-57(33-37-59)54-90-66-23-21-22-61(48-66)86-80-46-40-62(87-76-28-17-13-24-67(76)68-25-14-18-29-77(68)87)49-71(80)72-50-63(41-47-81(72)86)88-78-30-19-15-26-69(78)70-27-16-20-31-79(70)88/h13-50,55,73-74H,12,51-54H2,1-11H3
InChIKeyHCOXJTAMMHQIJL-UHFFFAOYSA-N
XLogP23.53
TPSA42.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.61
LogP ≤ 523.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole with MolForge

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Related Compounds

9-[3-[4-(3-Carbazol-9-yl-2-fluorophenyl)-2,5-dimethoxyphenyl]-2-fluorophenyl]carbazole
CID 59147030
9-[3-[2-[[2-[[2-[3-Carbazol-9-yl-5-(1-fluoroethyl)-2-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-2-methylphenyl]carbazole
CID 71155956
9-[3-[2-[[6-[[2-(3-Carbazol-9-yl-2,5-dimethylphenyl)phenoxy]methyl]cyclohex-3-en-1-yl]methoxy]phenyl]-5-(1-fluoroethyl)-2-methylphenyl]carbazole
CID 71155957
7-(3,5-Diphenylphenyl)-10-[7-(3,5-diphenylphenyl)-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazol-10-yl]-5-[5-[4-(1,2,2-trifluoroethenoxy)phenyl]pentoxy]benzo[c]carbazole
CID 90164137
9-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-N-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)carbazol-3-amine
CID 124183678
N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
CID 126681143
4-[4-(4-Cyanophenyl)-2-(2,7-difluorocarbazol-9-yl)-5-(2,7-dimethoxycarbazol-9-yl)phenyl]benzonitrile
CID 132111892
2-[5-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-4-(2-cyanophenyl)-2-(2,7-dimethoxycarbazol-9-yl)phenyl]benzonitrile
CID 132111893
2,6-Bis(2-methoxycarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295575
9-[4-(3,6-Dimethoxycarbazol-9-yl)-2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole
CID 135130971
9-[4-(3,6-Dimethoxycarbazol-9-yl)-2,5-bis[4-(trifluoromethyl)phenyl]phenyl]-3,6-dimethoxycarbazole
CID 135136099
9-[5-[3-(2,7-Dimethoxycarbazol-9-yl)-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]-2,7-dimethoxycarbazole
CID 138736003

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole (CID 123697086) is 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole is CCC(F)=C(C)Oc1ccc(OCc2ccc(C(CC(C)(C)C)C(C)(C)C(C)(C)CC(c3ccc(COc4cccc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4)cc3)C(C)C)cc2)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole?
The InChIKey is HCOXJTAMMHQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H84FN3O3/c1-12-75(85)56(4)91-65-44-42-64(43-45-65)89-53-58-34-38-60(39-35-58)74(52-82(5,6)7)84(10,11)83(8,9)51-73(55(2)3)59-36-32-57(33-37-59)54-90-66-23-21-22-61(48-66)86-80-46-40-62(87-76-28-17-13-24-67(76)68-25-14-18-29-77(68)87)49-71(80)72-50-63(41-47-81(72)86)88-78-30-19-15-26-69(78)70-27-16-20-31-79(70)88/h13-50,55,73-74H,12,51-54H2,1-11H3.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole has a molecular weight of 1202.61 g/mol, XLogP of 23.53, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[3-[[4-[7-[4-[[4-(3-fluoropent-2-en-2-yloxy)phenoxy]methyl]phenyl]-2,5,5,6,6,9,9-heptamethyldecan-3-yl]phenyl]methoxy]phenyl]carbazole is sourced from PubChem (CID 123697086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).