3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine

C86H50N10O2 — CID 129089164

IUPAC3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)nc3c2n1
InChIInChI=1S/C86H50N10O2/c1-9-25-65-55(17-1)56-18-2-10-26-66(56)91(65)51-33-39-73-77(47-51)97-78-48-52(92-67-27-11-3-19-57(67)58-20-4-12-28-68(58)92)34-40-74(78)95(73)81-43-37-63-83-84(88-46-45-87-83)64-38-44-82(90-86(64)85(63)89-81)96-75-41-35-53(93-69-29-13-5-21-59(69)60-22-6-14-30-70(60)93)49-79(75)98-80-50-54(36-42-76(80)96)94-71-31-15-7-23-61(71)62-24-8-16-32-72(62)94/h1-50H
InChIKeyPKDITXNFCXFLIM-UHFFFAOYSA-N
MW1255.41 g/mol
LogP22.27
Rot. Bonds6

About 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine

3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine (PubChem CID 129089164) has the molecular formula C86H50N10O2 and a molecular weight of 1255.41 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
PubChem CID129089164
Molecular FormulaC86H50N10O2
Molecular Weight1255.41 g/mol
Exact Mass1254.41
IUPAC Name3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)nc3c2n1
InChIInChI=1S/C86H50N10O2/c1-9-25-65-55(17-1)56-18-2-10-26-66(56)91(65)51-33-39-73-77(47-51)97-78-48-52(92-67-27-11-3-19-57(67)58-20-4-12-28-68(58)92)34-40-74(78)95(73)81-43-37-63-83-84(88-46-45-87-83)64-38-44-82(90-86(64)85(63)89-81)96-75-41-35-53(93-69-29-13-5-21-59(69)60-22-6-14-30-70(60)93)49-79(75)98-80-50-54(36-42-76(80)96)94-71-31-15-7-23-61(71)62-24-8-16-32-72(62)94/h1-50H
InChIKeyPKDITXNFCXFLIM-UHFFFAOYSA-N
XLogP22.27
TPSA96.22 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001255.41
LogP ≤ 522.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,7-di(carbazol-9-yl)-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)phenothiazine
CID 129089144
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
CID 129089080
7-[3,6-di(carbazol-9-yl)carbazol-9-yl]-10-phenylpyrazino[2,3-f][1,10]phenanthroline
CID 129089148
3-carbazol-9-yl-10-methylphenoxazine
CID 130351981
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
3,7-di(carbazol-9-yl)-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine
CID 118912242
3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine
CID 140607109
3'-carbazol-9-yl-6'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655393
5-carbazol-9-yl-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469284
14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213496
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520
6-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063833

Frequently Asked Questions

What is the IUPAC name of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
The IUPAC name of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine (CID 129089164) is 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
The canonical SMILES for 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccc(-n6c7ccccc7c7ccccc76)cc5Oc5cc(-n6c7ccccc7c7ccccc76)ccc54)nc3c2n1.
What is the InChIKey of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
The InChIKey is PKDITXNFCXFLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50N10O2/c1-9-25-65-55(17-1)56-18-2-10-26-66(56)91(65)51-33-39-73-77(47-51)97-78-48-52(92-67-27-11-3-19-57(67)58-20-4-12-28-68(58)92)34-40-74(78)95(73)81-43-37-63-83-84(88-46-45-87-83)64-38-44-82(90-86(64)85(63)89-81)96-75-41-35-53(93-69-29-13-5-21-59(69)60-22-6-14-30-70(60)93)49-79(75)98-80-50-54(36-42-76(80)96)94-71-31-15-7-23-61(71)62-24-8-16-32-72(62)94/h1-50H.
What are the key properties of 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine?
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine has a molecular weight of 1255.41 g/mol, XLogP of 22.27, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine is sourced from PubChem (CID 129089164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).