4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

C78H48N8O3 — CID 142315334

IUPAC4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6Oc6ccccc6N7c6ccc(-c7nnc(-c8ccc(N9c%10ccccc%10Oc%10ccccc%109)cc8)o7)cc6)ccc54)c3)ncn2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C78H48N8O3/c1-4-24-65-59(20-1)60-21-2-5-25-66(60)85(65)56-18-13-16-52(44-56)63-47-64(80-48-79-63)53-17-14-19-57(45-53)86-67-26-6-3-22-61(67)62-46-51(38-43-68(62)86)58-23-15-30-72-76(58)88-75-33-12-9-29-71(75)84(72)55-41-36-50(37-42-55)78-82-81-77(89-78)49-34-39-54(40-35-49)83-69-27-7-10-31-73(69)87-74-32-11-8-28-70(74)83/h1-48H
InChIKeyBRCUYMLUWUGSOZ-UHFFFAOYSA-N
MW1145.30 g/mol
LogP20.54
Rot. Bonds9

About 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine

4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (PubChem CID 142315334) has the molecular formula C78H48N8O3 and a molecular weight of 1145.30 g/mol. Its IUPAC name is 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
PubChem CID142315334
Molecular FormulaC78H48N8O3
Molecular Weight1145.30 g/mol
Exact Mass1144.38
IUPAC Name4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6Oc6ccccc6N7c6ccc(-c7nnc(-c8ccc(N9c%10ccccc%10Oc%10ccccc%109)cc8)o7)cc6)ccc54)c3)ncn2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C78H48N8O3/c1-4-24-65-59(20-1)60-21-2-5-25-66(60)85(65)56-18-13-16-52(44-56)63-47-64(80-48-79-63)53-17-14-19-57(45-53)86-67-26-6-3-22-61(67)62-46-51(38-43-68(62)86)58-23-15-30-72-76(58)88-75-33-12-9-29-71(75)84(72)55-41-36-50(37-42-55)78-82-81-77(89-78)49-34-39-54(40-35-49)83-69-27-7-10-31-73(69)87-74-32-11-8-28-70(74)83/h1-48H
InChIKeyBRCUYMLUWUGSOZ-UHFFFAOYSA-N
XLogP20.54
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.30
LogP ≤ 520.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine with MolForge

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Related Compounds

10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 146530417
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
9-phenyl-3-[3-[3-[6-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 122627424
25-(3-phenylphenyl)-21-[9-(3-phenylphenyl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 142357461
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
3-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795494
5-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795226

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The IUPAC name of 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine (CID 142315334) is 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The canonical SMILES for 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6Oc6ccccc6N7c6ccc(-c7nnc(-c8ccc(N9c%10ccccc%10Oc%10ccccc%109)cc8)o7)cc6)ccc54)c3)ncn2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
The InChIKey is BRCUYMLUWUGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N8O3/c1-4-24-65-59(20-1)60-21-2-5-25-66(60)85(65)56-18-13-16-52(44-56)63-47-64(80-48-79-63)53-17-14-19-57(45-53)86-67-26-6-3-22-61(67)62-46-51(38-43-68(62)86)58-23-15-30-72-76(58)88-75-33-12-9-29-71(75)84(72)55-41-36-50(37-42-55)78-82-81-77(89-78)49-34-39-54(40-35-49)83-69-27-7-10-31-73(69)87-74-32-11-8-28-70(74)83/h1-48H.
What are the key properties of 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine?
4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine has a molecular weight of 1145.30 g/mol, XLogP of 20.54, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 142315334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).