9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole

C63H62N2O8 — CID 21030333

IUPAC9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole
SMILESCOCCOCOc1c(-c2ccccc2OC(C)CC(C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOCCOC)cc(C)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C63H62N2O8/c1-42-35-52(62(70-40-68-33-31-66-5)58(37-42)64-54-25-13-7-19-46(54)47-20-8-14-26-55(47)64)50-23-11-17-29-60(50)72-44(3)39-45(4)73-61-30-18-12-24-51(61)53-36-43(2)38-59(63(53)71-41-69-34-32-67-6)65-56-27-15-9-21-48(56)49-22-10-16-28-57(49)65/h7-30,35-38,44-45H,31-34,39-41H2,1-6H3
InChIKeyNJXWOYRCJKKJPW-UHFFFAOYSA-N
MW975.19 g/mol
LogP14.46
Rot. Bonds22

About 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole

9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole (PubChem CID 21030333) has the molecular formula C63H62N2O8 and a molecular weight of 975.19 g/mol. Its IUPAC name is 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole
PubChem CID21030333
Molecular FormulaC63H62N2O8
Molecular Weight975.19 g/mol
Exact Mass974.45
IUPAC Name9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole
SMILESCOCCOCOc1c(-c2ccccc2OC(C)CC(C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOCCOC)cc(C)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C63H62N2O8/c1-42-35-52(62(70-40-68-33-31-66-5)58(37-42)64-54-25-13-7-19-46(54)47-20-8-14-26-55(47)64)50-23-11-17-29-60(50)72-44(3)39-45(4)73-61-30-18-12-24-51(61)53-36-43(2)38-59(63(53)71-41-69-34-32-67-6)65-56-27-15-9-21-48(56)49-22-10-16-28-57(49)65/h7-30,35-38,44-45H,31-34,39-41H2,1-6H3
InChIKeyNJXWOYRCJKKJPW-UHFFFAOYSA-N
XLogP14.46
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.19
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole?
The IUPAC name of 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole (CID 21030333) is 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole.
What is the SMILES notation for 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole?
The canonical SMILES for 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole is COCCOCOc1c(-c2ccccc2OC(C)CC(C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2OCOCCOC)cc(C)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole?
The InChIKey is NJXWOYRCJKKJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H62N2O8/c1-42-35-52(62(70-40-68-33-31-66-5)58(37-42)64-54-25-13-7-19-46(54)47-20-8-14-26-55(47)64)50-23-11-17-29-60(50)72-44(3)39-45(4)73-61-30-18-12-24-51(61)53-36-43(2)38-59(63(53)71-41-69-34-32-67-6)65-56-27-15-9-21-48(56)49-22-10-16-28-57(49)65/h7-30,35-38,44-45H,31-34,39-41H2,1-6H3.
What are the key properties of 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole?
9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole has a molecular weight of 975.19 g/mol, XLogP of 14.46, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[4-[2-[3-carbazol-9-yl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]phenoxy]pentan-2-yloxy]phenyl]-2-(2-methoxyethoxymethoxy)-5-methylphenyl]carbazole is sourced from PubChem (CID 21030333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).