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

C56H35N7 — CID 146654347

IUPAC3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)nc1
InChIInChI=1S/C56H35N7/c1-6-22-49-38(15-1)39-16-2-7-23-50(39)61(49)36-27-29-54-43(33-36)44-34-37(62-51-24-8-3-17-40(51)41-18-4-9-25-52(41)62)28-30-55(44)63(54)53-26-10-5-19-42(53)56-59-47(45-20-11-13-31-57-45)35-48(60-56)46-21-12-14-32-58-46/h1-35H
InChIKeyLXTJVKZPFGJXBW-UHFFFAOYSA-N
MW805.95 g/mol
LogP13.56
Rot. Bonds6

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

3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 146654347) has the molecular formula C56H35N7 and a molecular weight of 805.95 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
PubChem CID146654347
Molecular FormulaC56H35N7
Molecular Weight805.95 g/mol
Exact Mass805.30
IUPAC Name3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)nc1
InChIInChI=1S/C56H35N7/c1-6-22-49-38(15-1)39-16-2-7-23-50(39)61(49)36-27-29-54-43(33-36)44-34-37(62-51-24-8-3-17-40(51)41-18-4-9-25-52(41)62)28-30-55(44)63(54)53-26-10-5-19-42(53)56-59-47(45-20-11-13-31-57-45)35-48(60-56)46-21-12-14-32-58-46/h1-35H
InChIKeyLXTJVKZPFGJXBW-UHFFFAOYSA-N
XLogP13.56
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.95
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578581
3-carbazol-9-yl-9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[2-[3-carbazol-9-yl-2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;4-carbazol-9-yl-9-[2-[3-carbazol-9-yl-2-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 160884048
3,6-ditert-butyl-9-[2-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146653896
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
3-carbazol-9-yl-9-[6-carbazol-9-yl-4-(2-carbazol-9-ylphenyl)-2-pyridinyl]carbazole
CID 146626081
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
9-(6-carbazol-9-yl-9,10-dipyridin-2-ylanthracen-2-yl)carbazole
CID 59221065
2-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 126735062
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole (CID 146654347) is 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)nc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is LXTJVKZPFGJXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N7/c1-6-22-49-38(15-1)39-16-2-7-23-50(39)61(49)36-27-29-54-43(33-36)44-34-37(62-51-24-8-3-17-40(51)41-18-4-9-25-52(41)62)28-30-55(44)63(54)53-26-10-5-19-42(53)56-59-47(45-20-11-13-31-57-45)35-48(60-56)46-21-12-14-32-58-46/h1-35H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole?
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 805.95 g/mol, XLogP of 13.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 146654347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).