2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine

C153H106N6O2S — CID 157435501

IUPAC2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3sc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6nc7c8ccccc8c8ccccc8c7nc6C6CCCCC6)c5)cccc34)cc21
InChIInChI=1S/C55H42N2O.C49H32N2O.C49H32N2S/c1-55(2)47-28-11-10-21-41(47)42-30-29-35(32-48(42)55)38-25-14-27-46-45-26-13-24-37(53(45)58-54(38)46)34-17-12-18-36(31-34)50-49(33-15-4-3-5-16-33)56-51-43-22-8-6-19-39(43)40-20-7-9-23-44(40)52(51)57-50;1-49(2)42-23-8-7-16-36(42)37-25-24-30(27-43(37)49)33-20-11-22-41-40-21-10-19-32(47(40)52-48(33)41)29-12-9-13-31(26-29)44-28-50-45-38-17-5-3-14-34(38)35-15-4-6-18-39(35)46(45)51-44;1-49(2)41-25-8-7-19-40(41)44-34(21-12-26-42(44)49)37-22-11-24-39-38-23-10-20-31(47(38)52-48(37)39)29-13-9-14-30(27-29)43-28-50-45-35-17-5-3-15-32(35)33-16-4-6-18-36(33)46(45)51-43/h6-14,17-33H,3-5,15-16H2,1-2H3;2*3-28H,1-2H3
InChIKeyBRAWYYBTGUCIHD-UHFFFAOYSA-N
MW2092.64 g/mol
LogP41.94
Rot. Bonds10

About 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine

2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 157435501) has the molecular formula C153H106N6O2S and a molecular weight of 2092.64 g/mol. Its IUPAC name is 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID157435501
Molecular FormulaC153H106N6O2S
Molecular Weight2092.64 g/mol
Exact Mass2090.81
IUPAC Name2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3sc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6nc7c8ccccc8c8ccccc8c7nc6C6CCCCC6)c5)cccc34)cc21
InChIInChI=1S/C55H42N2O.C49H32N2O.C49H32N2S/c1-55(2)47-28-11-10-21-41(47)42-30-29-35(32-48(42)55)38-25-14-27-46-45-26-13-24-37(53(45)58-54(38)46)34-17-12-18-36(31-34)50-49(33-15-4-3-5-16-33)56-51-43-22-8-6-19-39(43)40-20-7-9-23-44(40)52(51)57-50;1-49(2)42-23-8-7-16-36(42)37-25-24-30(27-43(37)49)33-20-11-22-41-40-21-10-19-32(47(40)52-48(33)41)29-12-9-13-31(26-29)44-28-50-45-38-17-5-3-14-34(38)35-15-4-6-18-39(35)46(45)51-44;1-49(2)41-25-8-7-19-40(41)44-34(21-12-26-42(44)49)37-22-11-24-39-38-23-10-20-31(47(38)52-48(37)39)29-13-9-14-30(27-29)43-28-50-45-35-17-5-3-15-32(35)33-16-4-6-18-36(33)46(45)51-43/h6-14,17-33H,3-5,15-16H2,1-2H3;2*3-28H,1-2H3
InChIKeyBRAWYYBTGUCIHD-UHFFFAOYSA-N
XLogP41.94
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002092.64
LogP ≤ 541.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
1-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;1-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-1-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-1-yl)phosphoryl]dibenzothiophene;2-[1,10-phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-1-ylphosphoryl]carbazole;2-pyridin-2-yl-6-[(2-pyridin-2-yl-4-pyridinyl)-triphenylen-1-ylphosphoryl]pyridine;2-[pyridin-2-yl(triphenylen-1-yl)phosphoryl]pyridine
CID 157288269
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
2-[4-[2,7-Bis(furan-2-yl)-9-[4-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574311
2-[3-[2,7-Bis(furan-2-yl)-9-[3-(1,10-phenanthrolin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,10-phenanthroline
CID 57574360
3-[3-[6-(9,9'-Spirobi[fluorene]-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 58409960
3-(3-Dibenzofuran-4-ylphenyl)-7,10-di(propan-2-yl)phenanthro[9,10-b]pyrazine
CID 58409972
3-(7-Dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58409973
3-[3-(6-Methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410000
3-[3-(6-Tert-butyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410014

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 157435501) is 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2c(-c3cccc4c3sc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6nc7c8ccccc8c8ccccc8c7nc6C6CCCCC6)c5)cccc34)cc21.
What is the InChIKey of 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is BRAWYYBTGUCIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2O.C49H32N2O.C49H32N2S/c1-55(2)47-28-11-10-21-41(47)42-30-29-35(32-48(42)55)38-25-14-27-46-45-26-13-24-37(53(45)58-54(38)46)34-17-12-18-36(31-34)50-49(33-15-4-3-5-16-33)56-51-43-22-8-6-19-39(43)40-20-7-9-23-44(40)52(51)57-50;1-49(2)42-23-8-7-16-36(42)37-25-24-30(27-43(37)49)33-20-11-22-41-40-21-10-19-32(47(40)52-48(33)41)29-12-9-13-31(26-29)44-28-50-45-38-17-5-3-14-34(38)35-15-4-6-18-39(35)46(45)51-44;1-49(2)41-25-8-7-19-40(41)44-34(21-12-26-42(44)49)37-22-11-24-39-38-23-10-20-31(47(38)52-48(37)39)29-13-9-14-30(27-29)43-28-50-45-35-17-5-3-15-32(35)33-16-4-6-18-36(33)46(45)51-43/h6-14,17-33H,3-5,15-16H2,1-2H3;2*3-28H,1-2H3.
What are the key properties of 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine?
2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2092.64 g/mol, XLogP of 41.94, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[6-(9,9-dimethylfluoren-4-yl)dibenzothiophen-4-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157435501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).