3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole

C90H65N7O2 — CID 165044372

IUPAC3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C90H65N7O2/c1-58-25-22-26-59(55-58)86-87(94-78-41-16-6-31-66(78)67-32-7-17-42-79(67)94)89(96-82-45-20-10-35-70(82)72-56-60(47-49-84(72)96)98-53-23-51-92-74-37-12-2-27-62(74)63-28-3-13-38-75(63)92)91-90(88(86)95-80-43-18-8-33-68(80)69-34-9-19-44-81(69)95)97-83-46-21-11-36-71(83)73-57-61(48-50-85(73)97)99-54-24-52-93-76-39-14-4-29-64(76)65-30-5-15-40-77(65)93/h2-22,25-50,55-57H,23-24,51-54H2,1H3
InChIKeyJTGIZDXTZGLQBT-UHFFFAOYSA-N
MW1276.56 g/mol
LogP22.60
Rot. Bonds15

About 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole

3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole (PubChem CID 165044372) has the molecular formula C90H65N7O2 and a molecular weight of 1276.56 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole
PubChem CID165044372
Molecular FormulaC90H65N7O2
Molecular Weight1276.56 g/mol
Exact Mass1275.52
IUPAC Name3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C90H65N7O2/c1-58-25-22-26-59(55-58)86-87(94-78-41-16-6-31-66(78)67-32-7-17-42-79(67)94)89(96-82-45-20-10-35-70(82)72-56-60(47-49-84(72)96)98-53-23-51-92-74-37-12-2-27-62(74)63-28-3-13-38-75(63)92)91-90(88(86)95-80-43-18-8-33-68(80)69-34-9-19-44-81(69)95)97-83-46-21-11-36-71(83)73-57-61(48-50-85(73)97)99-54-24-52-93-76-39-14-4-29-64(76)65-30-5-15-40-77(65)93/h2-22,25-50,55-57H,23-24,51-54H2,1H3
InChIKeyJTGIZDXTZGLQBT-UHFFFAOYSA-N
XLogP22.60
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.56
LogP ≤ 522.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole with MolForge

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Related Compounds

3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole;5-phenyl-10-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]phenazine
CID 165044370
3,6-dimethyl-9-[3,5,6-tri(carbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]carbazole
CID 146512463
3,6-di(carbazol-9-yl)-9-[2,5,6-tri(carbazol-9-yl)-4-(3,5-dimethylphenyl)-3-pyridinyl]carbazole
CID 146236385
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
3,6-diphenyl-9-[3,5,6-tri(carbazol-9-yl)-4-pyridin-4-yl-2-pyridinyl]carbazole
CID 146511865
2-dodecoxy-9-dodecylcarbazole
CID 15163810
9-octadecyl-2-octoxycarbazole
CID 15163807
2-octoxy-9-octylcarbazole
CID 15163804
1-[3-(3-methylphenoxy)propyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999387
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole (CID 165044372) is 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole is Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(OCCCn5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole?
The InChIKey is JTGIZDXTZGLQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H65N7O2/c1-58-25-22-26-59(55-58)86-87(94-78-41-16-6-31-66(78)67-32-7-17-42-79(67)94)89(96-82-45-20-10-35-70(82)72-56-60(47-49-84(72)96)98-53-23-51-92-74-37-12-2-27-62(74)63-28-3-13-38-75(63)92)91-90(88(86)95-80-43-18-8-33-68(80)69-34-9-19-44-81(69)95)97-83-46-21-11-36-71(83)73-57-61(48-50-85(73)97)99-54-24-52-93-76-39-14-4-29-64(76)65-30-5-15-40-77(65)93/h2-22,25-50,55-57H,23-24,51-54H2,1H3.
What are the key properties of 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole?
3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole has a molecular weight of 1276.56 g/mol, XLogP of 22.60, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylpropoxy)-9-[3,5-di(carbazol-9-yl)-6-[3-(3-carbazol-9-ylpropoxy)carbazol-9-yl]-4-(3-methylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 165044372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).