9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole

C78H49N5 — CID 58527038

IUPAC9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C78H49N5/c1-2-18-53(19-3-1)78-79-70(52-34-38-61(39-35-52)81-72-26-12-8-22-64(72)65-23-9-13-27-73(65)81)49-71(80-78)60-44-62(82-74-28-14-10-24-66(74)68-46-58(36-40-76(68)82)56-32-30-50-16-4-6-20-54(50)42-56)48-63(45-60)83-75-29-15-11-25-67(75)69-47-59(37-41-77(69)83)57-33-31-51-17-5-7-21-55(51)43-57/h1-49H
InChIKeyXLNIGAMOCZEUQB-UHFFFAOYSA-N
MW1056.29 g/mol
LogP20.41
Rot. Bonds8

About 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole

9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole (PubChem CID 58527038) has the molecular formula C78H49N5 and a molecular weight of 1056.29 g/mol. Its IUPAC name is 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
PubChem CID58527038
Molecular FormulaC78H49N5
Molecular Weight1056.29 g/mol
Exact Mass1055.40
IUPAC Name9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C78H49N5/c1-2-18-53(19-3-1)78-79-70(52-34-38-61(39-35-52)81-72-26-12-8-22-64(72)65-23-9-13-27-73(65)81)49-71(80-78)60-44-62(82-74-28-14-10-24-66(74)68-46-58(36-40-76(68)82)56-32-30-50-16-4-6-20-54(50)42-56)48-63(45-60)83-75-29-15-11-25-67(75)69-47-59(37-41-77(69)83)57-33-31-51-17-5-7-21-55(51)43-57/h1-49H
InChIKeyXLNIGAMOCZEUQB-UHFFFAOYSA-N
XLogP20.41
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.29
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
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
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130350827

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole?
The IUPAC name of 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole (CID 58527038) is 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole.
What is the SMILES notation for 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole?
The canonical SMILES for 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)cc(-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole?
The InChIKey is XLNIGAMOCZEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H49N5/c1-2-18-53(19-3-1)78-79-70(52-34-38-61(39-35-52)81-72-26-12-8-22-64(72)65-23-9-13-27-73(65)81)49-71(80-78)60-44-62(82-74-28-14-10-24-66(74)68-46-58(36-40-76(68)82)56-32-30-50-16-4-6-20-54(50)42-56)48-63(45-60)83-75-29-15-11-25-67(75)69-47-59(37-41-77(69)83)57-33-31-51-17-5-7-21-55(51)43-57/h1-49H.
What are the key properties of 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole?
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole has a molecular weight of 1056.29 g/mol, XLogP of 20.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole is sourced from PubChem (CID 58527038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).