9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole

C58H39N3 — CID 58943730

IUPAC9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C58H39N3/c1-5-17-40(18-6-1)46-33-47(36-50(35-46)55-39-54(44-21-9-3-10-22-44)59-58(60-55)45-23-11-4-12-24-45)42-29-31-43(32-30-42)49-34-48(41-19-7-2-8-20-41)37-51(38-49)61-56-27-15-13-25-52(56)53-26-14-16-28-57(53)61/h1-39H
InChIKeyIZMZALJBGXVRCT-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.24
Rot. Bonds8

About 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole

9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole (PubChem CID 58943730) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
PubChem CID58943730
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C58H39N3/c1-5-17-40(18-6-1)46-33-47(36-50(35-46)55-39-54(44-21-9-3-10-22-44)59-58(60-55)45-23-11-4-12-24-45)42-29-31-43(32-30-42)49-34-48(41-19-7-2-8-20-41)37-51(38-49)61-56-27-15-13-25-52(56)53-26-14-16-28-57(53)61/h1-39H
InChIKeyIZMZALJBGXVRCT-UHFFFAOYSA-N
XLogP15.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955
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]phenyl]carbazole
CID 164822819
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole;9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 163832529
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943750

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole?
The IUPAC name of 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole (CID 58943730) is 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6ccccc65)c4)cc3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole?
The InChIKey is IZMZALJBGXVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-5-17-40(18-6-1)46-33-47(36-50(35-46)55-39-54(44-21-9-3-10-22-44)59-58(60-55)45-23-11-4-12-24-45)42-29-31-43(32-30-42)49-34-48(41-19-7-2-8-20-41)37-51(38-49)61-56-27-15-13-25-52(56)53-26-14-16-28-57(53)61/h1-39H.
What are the key properties of 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole?
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole has a molecular weight of 777.97 g/mol, XLogP of 15.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole is sourced from PubChem (CID 58943730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).