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

C58H38N4 — CID 118149449

IUPAC2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)c3)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-15-40(16-5-1)52-38-53(41-17-6-2-7-18-41)60-58(59-52)45-20-14-19-42(35-45)44-30-34-51-49-24-11-13-26-55(49)62(57(51)37-44)47-31-27-39(28-32-47)43-29-33-50-48-23-10-12-25-54(48)61(56(50)36-43)46-21-8-3-9-22-46/h1-38H
InChIKeyMERYFMSMEJPIAH-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.01
Rot. Bonds7

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

2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole (PubChem CID 118149449) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
PubChem CID118149449
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)c3)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-15-40(16-5-1)52-38-53(41-17-6-2-7-18-41)60-58(59-52)45-20-14-19-42(35-45)44-30-34-51-49-24-11-13-26-55(49)62(57(51)37-44)47-31-27-39(28-32-47)43-29-33-50-48-23-10-12-25-54(48)61(56(50)36-43)46-21-8-3-9-22-46/h1-38H
InChIKeyMERYFMSMEJPIAH-UHFFFAOYSA-N
XLogP15.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9-phenylcarbazole;2-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-9-phenylcarbazole
CID 159843994
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
9-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
5-phenyl-11-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-b]carbazole
CID 158156605
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157454862
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 159745191
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The IUPAC name of 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole (CID 118149449) is 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The canonical SMILES for 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6n(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
The InChIKey is MERYFMSMEJPIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-15-40(16-5-1)52-38-53(41-17-6-2-7-18-41)60-58(59-52)45-20-14-19-42(35-45)44-30-34-51-49-24-11-13-26-55(49)62(57(51)37-44)47-31-27-39(28-32-47)43-29-33-50-48-23-10-12-25-54(48)61(56(50)36-43)46-21-8-3-9-22-46/h1-38H.
What are the key properties of 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole?
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole has a molecular weight of 790.97 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 118149449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).