3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole

C162H111N6O3P3 — CID 157211543

IUPAC3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.O=P(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/3C54H37N2OP/c57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-29-35-53-50(36-40)48-21-11-13-23-52(48)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-28-34-49-47-20-10-12-22-51(47)56(54(49)37-41)43-16-6-2-7-17-43;57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-28-34-53-49(36-40)47-20-10-12-22-51(47)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-29-35-54-50(37-41)48-21-11-13-23-52(48)56(54)43-16-6-2-7-17-43;57-58(44-18-5-2-6-19-44,45-31-26-38(27-32-45)40-14-13-17-43(36-40)56-51-23-10-7-20-47(51)48-21-8-11-24-52(48)56)46-33-28-39(29-34-46)41-30-35-54-50(37-41)49-22-9-12-25-53(49)55(54)42-15-3-1-4-16-42/h3*1-37H
InChIKeyARYGMWMWHYHLLW-UHFFFAOYSA-N
MW2282.63 g/mol
LogP38.56
Rot. Bonds21

About 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole

3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole (PubChem CID 157211543) has the molecular formula C162H111N6O3P3 and a molecular weight of 2282.63 g/mol. Its IUPAC name is 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole.

Molecular Properties

Compound Name3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
PubChem CID157211543
Molecular FormulaC162H111N6O3P3
Molecular Weight2282.63 g/mol
Exact Mass2280.79
IUPAC Name3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.O=P(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/3C54H37N2OP/c57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-29-35-53-50(36-40)48-21-11-13-23-52(48)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-28-34-49-47-20-10-12-22-51(47)56(54(49)37-41)43-16-6-2-7-17-43;57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-28-34-53-49(36-40)47-20-10-12-22-51(47)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-29-35-54-50(37-41)48-21-11-13-23-52(48)56(54)43-16-6-2-7-17-43;57-58(44-18-5-2-6-19-44,45-31-26-38(27-32-45)40-14-13-17-43(36-40)56-51-23-10-7-20-47(51)48-21-8-11-24-52(48)56)46-33-28-39(29-34-46)41-30-35-54-50(37-41)49-22-9-12-25-53(49)55(54)42-15-3-1-4-16-42/h3*1-37H
InChIKeyARYGMWMWHYHLLW-UHFFFAOYSA-N
XLogP38.56
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms174
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002282.63
LogP ≤ 538.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole?
The IUPAC name of 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole (CID 157211543) is 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole.
What is the SMILES notation for 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole?
The canonical SMILES for 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole is O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.O=P(c1ccccc1)(c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1)c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.O=P(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole?
The InChIKey is ARYGMWMWHYHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H37N2OP/c57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-29-35-53-50(36-40)48-21-11-13-23-52(48)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-28-34-49-47-20-10-12-22-51(47)56(54(49)37-41)43-16-6-2-7-17-43;57-58(44-18-8-3-9-19-44,45-30-24-38(25-31-45)40-28-34-53-49(36-40)47-20-10-12-22-51(47)55(53)42-14-4-1-5-15-42)46-32-26-39(27-33-46)41-29-35-54-50(37-41)48-21-11-13-23-52(48)56(54)43-16-6-2-7-17-43;57-58(44-18-5-2-6-19-44,45-31-26-38(27-32-45)40-14-13-17-43(36-40)56-51-23-10-7-20-47(51)48-21-8-11-24-52(48)56)46-33-28-39(29-34-46)41-30-35-54-50(37-41)49-22-9-12-25-53(49)55(54)42-15-3-1-4-16-42/h3*1-37H.
What are the key properties of 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole?
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole has a molecular weight of 2282.63 g/mol, XLogP of 38.56, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole is sourced from PubChem (CID 157211543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).