2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole

C64H41N3 — CID 139500401

IUPAC2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H41N3/c1-4-16-42(17-5-1)44-28-30-45(31-29-44)60-41-61(66-64(65-60)46-20-8-3-9-21-46)50-36-49(47-32-34-56-54-24-11-10-22-52(54)53-23-12-13-25-55(53)59(56)39-47)37-51(38-50)67-62-27-15-14-26-57(62)58-35-33-48(40-63(58)67)43-18-6-2-7-19-43/h1-41H
InChIKeyWWEQDOPBENALCG-UHFFFAOYSA-N
MW852.05 g/mol
LogP17.04
Rot. Bonds7

About 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole

2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole (PubChem CID 139500401) has the molecular formula C64H41N3 and a molecular weight of 852.05 g/mol. Its IUPAC name is 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole.

Molecular Properties

Compound Name2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
PubChem CID139500401
Molecular FormulaC64H41N3
Molecular Weight852.05 g/mol
Exact Mass851.33
IUPAC Name2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H41N3/c1-4-16-42(17-5-1)44-28-30-45(31-29-44)60-41-61(66-64(65-60)46-20-8-3-9-21-46)50-36-49(47-32-34-56-54-24-11-10-22-52(54)53-23-12-13-25-55(53)59(56)39-47)37-51(38-50)67-62-27-15-14-26-57(62)58-35-33-48(40-63(58)67)43-18-6-2-7-19-43/h1-41H
InChIKeyWWEQDOPBENALCG-UHFFFAOYSA-N
XLogP17.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.05
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500404
9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500408
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500861
9-(3-phenylphenyl)-2-[3-[4-[2-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-2-[3-[4-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-(3-phenylphenyl)-2-[3-[4-[4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159653116
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 162102961
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole?
The IUPAC name of 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole (CID 139500401) is 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole.
What is the SMILES notation for 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole?
The canonical SMILES for 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole?
The InChIKey is WWEQDOPBENALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3/c1-4-16-42(17-5-1)44-28-30-45(31-29-44)60-41-61(66-64(65-60)46-20-8-3-9-21-46)50-36-49(47-32-34-56-54-24-11-10-22-52(54)53-23-12-13-25-55(53)59(56)39-47)37-51(38-50)67-62-27-15-14-26-57(62)58-35-33-48(40-63(58)67)43-18-6-2-7-19-43/h1-41H.
What are the key properties of 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole?
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole has a molecular weight of 852.05 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole is sourced from PubChem (CID 139500401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).