9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole

C64H40N10 — CID 140923124

IUPAC9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole
SMILESc1cc(-c2nc(-c3ccncc3)cc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccncc8)cc(-c8ccncc8)n7)c6)c5c4)cc32)c1
InChIInChI=1S/C64H40N10/c1-3-13-59-51(11-1)53-17-15-45(37-61(53)73(59)49-9-5-7-47(35-49)63-69-55(41-19-27-65-28-20-41)39-56(70-63)42-21-29-66-30-22-42)46-16-18-54-52-12-2-4-14-60(52)74(62(54)38-46)50-10-6-8-48(36-50)64-71-57(43-23-31-67-32-24-43)40-58(72-64)44-25-33-68-34-26-44/h1-40H
InChIKeyPCIOCELNSXWOFU-UHFFFAOYSA-N
MW949.09 g/mol
LogP14.71
Rot. Bonds9

About 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole

9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole (PubChem CID 140923124) has the molecular formula C64H40N10 and a molecular weight of 949.09 g/mol. Its IUPAC name is 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole
PubChem CID140923124
Molecular FormulaC64H40N10
Molecular Weight949.09 g/mol
Exact Mass948.34
IUPAC Name9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole
SMILESc1cc(-c2nc(-c3ccncc3)cc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccncc8)cc(-c8ccncc8)n7)c6)c5c4)cc32)c1
InChIInChI=1S/C64H40N10/c1-3-13-59-51(11-1)53-17-15-45(37-61(53)73(59)49-9-5-7-47(35-49)63-69-55(41-19-27-65-28-20-41)39-56(70-63)42-21-29-66-30-22-42)46-16-18-54-52-12-2-4-14-60(52)74(62(54)38-46)50-10-6-8-48(36-50)64-71-57(43-23-31-67-32-24-43)40-58(72-64)44-25-33-68-34-26-44/h1-40H
InChIKeyPCIOCELNSXWOFU-UHFFFAOYSA-N
XLogP14.71
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.09
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
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
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
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
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
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
bis(3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole);2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 157084696
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286952

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole (CID 140923124) is 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole is c1cc(-c2nc(-c3ccncc3)cc(-c3ccncc3)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccncc8)cc(-c8ccncc8)n7)c6)c5c4)cc32)c1.
What is the InChIKey of 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole?
The InChIKey is PCIOCELNSXWOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N10/c1-3-13-59-51(11-1)53-17-15-45(37-61(53)73(59)49-9-5-7-47(35-49)63-69-55(41-19-27-65-28-20-41)39-56(70-63)42-21-29-66-30-22-42)46-16-18-54-52-12-2-4-14-60(52)74(62(54)38-46)50-10-6-8-48(36-50)64-71-57(43-23-31-67-32-24-43)40-58(72-64)44-25-33-68-34-26-44/h1-40H.
What are the key properties of 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole?
9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole has a molecular weight of 949.09 g/mol, XLogP of 14.71, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-[9-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 140923124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).