2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol

C60H48N2O4 — CID 176584543

IUPAC2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
SMILESCC(c1ccccc1)(c1ccc(OCCO)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1)c1ccc(OCCO)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C60H48N2O4/c1-60(43-17-3-2-4-18-43,44-29-31-58(65-35-33-63)52(39-44)41-15-13-19-46(37-41)61-54-25-9-5-21-48(54)49-22-6-10-26-55(49)61)45-30-32-59(66-36-34-64)53(40-45)42-16-14-20-47(38-42)62-56-27-11-7-23-50(56)51-24-8-12-28-57(51)62/h2-32,37-40,63-64H,33-36H2,1H3
InChIKeyJZKFPUYNCXRWSK-UHFFFAOYSA-N
MW861.05 g/mol
LogP13.31
Rot. Bonds13

About 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol

2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol (PubChem CID 176584543) has the molecular formula C60H48N2O4 and a molecular weight of 861.05 g/mol. Its IUPAC name is 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
PubChem CID176584543
Molecular FormulaC60H48N2O4
Molecular Weight861.05 g/mol
Exact Mass860.36
IUPAC Name2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol
SMILESCC(c1ccccc1)(c1ccc(OCCO)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1)c1ccc(OCCO)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C60H48N2O4/c1-60(43-17-3-2-4-18-43,44-29-31-58(65-35-33-63)52(39-44)41-15-13-19-46(37-41)61-54-25-9-5-21-48(54)49-22-6-10-26-55(49)61)45-30-32-59(66-36-34-64)53(40-45)42-16-14-20-47(38-42)62-56-27-11-7-23-50(56)51-24-8-12-28-57(51)62/h2-32,37-40,63-64H,33-36H2,1H3
InChIKeyJZKFPUYNCXRWSK-UHFFFAOYSA-N
XLogP13.31
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.05
LogP ≤ 513.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3-[4-[[4-(3-hydroxypropoxy)-3-phenylphenyl]-diphenylmethyl]-2-phenylphenoxy]propan-1-ol
CID 141468799
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
CID 159670250
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol (CID 176584543) is 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol is CC(c1ccccc1)(c1ccc(OCCO)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1)c1ccc(OCCO)c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
The InChIKey is JZKFPUYNCXRWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O4/c1-60(43-17-3-2-4-18-43,44-29-31-58(65-35-33-63)52(39-44)41-15-13-19-46(37-41)61-54-25-9-5-21-48(54)49-22-6-10-26-55(49)61)45-30-32-59(66-36-34-64)53(40-45)42-16-14-20-47(38-42)62-56-27-11-7-23-50(56)51-24-8-12-28-57(51)62/h2-32,37-40,63-64H,33-36H2,1H3.
What are the key properties of 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol?
2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol has a molecular weight of 861.05 g/mol, XLogP of 13.31, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-carbazol-9-ylphenyl)-4-[1-[3-(3-carbazol-9-ylphenyl)-4-(2-hydroxyethoxy)phenyl]-1-phenylethyl]phenoxy]ethanol is sourced from PubChem (CID 176584543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).