2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole

C48H30N6O — CID 122593778

IUPAC2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cc43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-27-25-34(29-45(39)54)47-52-51-46(55-47)33-24-26-38-36-20-10-12-22-42(36)53(44(38)28-33)35-18-8-3-9-19-35/h1-30H
InChIKeyCECUULRTDKXWJZ-UHFFFAOYSA-N
MW706.81 g/mol
LogP11.72
Rot. Bonds6

About 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole

2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole (PubChem CID 122593778) has the molecular formula C48H30N6O and a molecular weight of 706.81 g/mol. Its IUPAC name is 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
PubChem CID122593778
Molecular FormulaC48H30N6O
Molecular Weight706.81 g/mol
Exact Mass706.25
IUPAC Name2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cc43)n2)cc1
InChIInChI=1S/C48H30N6O/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-27-25-34(29-45(39)54)47-52-51-46(55-47)33-24-26-38-36-20-10-12-22-42(36)53(44(38)28-33)35-18-8-3-9-19-35/h1-30H
InChIKeyCECUULRTDKXWJZ-UHFFFAOYSA-N
XLogP11.72
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.81
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole
CID 122593814
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole
CID 122593782
[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159916743
2,5-bis[9-(3,5-diphenylphenyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 126609037
7-[4-(4-phenylphenyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-b]carbazole
CID 121385422
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole (CID 122593778) is 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5nnc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)o5)cc43)n2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is CECUULRTDKXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O/c1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)50-48(49-40)54-43-23-13-11-21-37(43)39-27-25-34(29-45(39)54)47-52-51-46(55-47)33-24-26-38-36-20-10-12-22-42(36)53(44(38)28-33)35-18-8-3-9-19-35/h1-30H.
What are the key properties of 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole?
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 706.81 g/mol, XLogP of 11.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 122593778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).