3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine

C222H134N12O4S2 — CID 157347476

IUPAC3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c3ccc(C)cc3c3nc(-c4ccccc4-c4ccc5sc6ccccc6c5c4)cnc3c2c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccccc5-c5ccc6sc7ccccc7c6c5)cnc4c3c2)cc1.c1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c4ccccc34)cc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cc12
InChIInChI=1S/C46H28N2S.C38H22N2O.C36H24N2S.3C34H20N2O/c1-3-11-29(12-4-1)31-19-22-35-36-23-20-32(30-13-5-2-6-14-30)26-41(36)46-45(40(35)25-31)47-28-42(48-46)37-16-8-7-15-34(37)33-21-24-44-39(27-33)38-17-9-10-18-43(38)49-44;1-2-10-26-25(9-1)24(23-17-20-36-33(21-23)30-13-7-8-16-35(30)41-36)18-19-29(26)34-22-39-37-31-14-5-3-11-27(31)28-12-4-6-15-32(28)38(37)40-34;1-21-11-14-25-26-15-12-22(2)18-31(26)36-35(30(25)17-21)37-20-32(38-36)27-8-4-3-7-24(27)23-13-16-34-29(19-23)28-9-5-6-10-33(28)39-34;1-4-12-25(22(9-1)21-17-18-32-29(19-21)26-13-7-8-16-31(26)37-32)30-20-35-33-27-14-5-2-10-23(27)24-11-3-6-15-28(24)34(33)36-30;1-3-13-27-24(10-1)25-11-2-4-14-28(25)34-33(27)35-20-30(36-34)23-9-7-8-21(18-23)22-16-17-32-29(19-22)26-12-5-6-15-31(26)37-32;1-3-10-27-24(7-1)25-8-2-4-11-28(25)34-33(27)35-20-30(36-34)22-15-13-21(14-16-22)23-17-18-32-29(19-23)26-9-5-6-12-31(26)37-32/h1-28H;1-22H;3-20H,1-2H3;3*1-20H
InChIKeyBHDIIGUYIHHUAJ-UHFFFAOYSA-N
MW3097.73 g/mol
LogP61.06
Rot. Bonds14

About 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine

3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine (PubChem CID 157347476) has the molecular formula C222H134N12O4S2 and a molecular weight of 3097.73 g/mol. Its IUPAC name is 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
PubChem CID157347476
Molecular FormulaC222H134N12O4S2
Molecular Weight3097.73 g/mol
Exact Mass3095.01
IUPAC Name3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c3ccc(C)cc3c3nc(-c4ccccc4-c4ccc5sc6ccccc6c5c4)cnc3c2c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccccc5-c5ccc6sc7ccccc7c6c5)cnc4c3c2)cc1.c1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c4ccccc34)cc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cc12
InChIInChI=1S/C46H28N2S.C38H22N2O.C36H24N2S.3C34H20N2O/c1-3-11-29(12-4-1)31-19-22-35-36-23-20-32(30-13-5-2-6-14-30)26-41(36)46-45(40(35)25-31)47-28-42(48-46)37-16-8-7-15-34(37)33-21-24-44-39(27-33)38-17-9-10-18-43(38)49-44;1-2-10-26-25(9-1)24(23-17-20-36-33(21-23)30-13-7-8-16-35(30)41-36)18-19-29(26)34-22-39-37-31-14-5-3-11-27(31)28-12-4-6-15-32(28)38(37)40-34;1-21-11-14-25-26-15-12-22(2)18-31(26)36-35(30(25)17-21)37-20-32(38-36)27-8-4-3-7-24(27)23-13-16-34-29(19-23)28-9-5-6-10-33(28)39-34;1-4-12-25(22(9-1)21-17-18-32-29(19-21)26-13-7-8-16-31(26)37-32)30-20-35-33-27-14-5-2-10-23(27)24-11-3-6-15-28(24)34(33)36-30;1-3-13-27-24(10-1)25-11-2-4-14-28(25)34-33(27)35-20-30(36-34)23-9-7-8-21(18-23)22-16-17-32-29(19-22)26-12-5-6-15-31(26)37-32;1-3-10-27-24(7-1)25-8-2-4-11-28(25)34-33(27)35-20-30(36-34)22-15-13-21(14-16-22)23-17-18-32-29(19-23)26-9-5-6-12-31(26)37-32/h1-28H;1-22H;3-20H,1-2H3;3*1-20H
InChIKeyBHDIIGUYIHHUAJ-UHFFFAOYSA-N
XLogP61.06
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003097.73
LogP ≤ 561.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine (CID 157347476) is 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine is Cc1ccc2c3ccc(C)cc3c3nc(-c4ccccc4-c4ccc5sc6ccccc6c5c4)cnc3c2c1.c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccccc5-c5ccc6sc7ccccc7c6c5)cnc4c3c2)cc1.c1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)c(-c2ccc3oc4ccccc4c3c2)c1.c1ccc2c(c1)oc1ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)c4ccccc34)cc12.c1ccc2c(c1)oc1ccc(-c3ccc(-c4cnc5c6ccccc6c6ccccc6c5n4)cc3)cc12.
What is the InChIKey of 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
The InChIKey is BHDIIGUYIHHUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S.C38H22N2O.C36H24N2S.3C34H20N2O/c1-3-11-29(12-4-1)31-19-22-35-36-23-20-32(30-13-5-2-6-14-30)26-41(36)46-45(40(35)25-31)47-28-42(48-46)37-16-8-7-15-34(37)33-21-24-44-39(27-33)38-17-9-10-18-43(38)49-44;1-2-10-26-25(9-1)24(23-17-20-36-33(21-23)30-13-7-8-16-35(30)41-36)18-19-29(26)34-22-39-37-31-14-5-3-11-27(31)28-12-4-6-15-32(28)38(37)40-34;1-21-11-14-25-26-15-12-22(2)18-31(26)36-35(30(25)17-21)37-20-32(38-36)27-8-4-3-7-24(27)23-13-16-34-29(19-23)28-9-5-6-10-33(28)39-34;1-4-12-25(22(9-1)21-17-18-32-29(19-21)26-13-7-8-16-31(26)37-32)30-20-35-33-27-14-5-2-10-23(27)24-11-3-6-15-28(24)34(33)36-30;1-3-13-27-24(10-1)25-11-2-4-14-28(25)34-33(27)35-20-30(36-34)23-9-7-8-21(18-23)22-16-17-32-29(19-22)26-12-5-6-15-31(26)37-32;1-3-10-27-24(7-1)25-8-2-4-11-28(25)34-33(27)35-20-30(36-34)22-15-13-21(14-16-22)23-17-18-32-29(19-23)26-9-5-6-12-31(26)37-32/h1-28H;1-22H;3-20H,1-2H3;3*1-20H.
What are the key properties of 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine?
3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine has a molecular weight of 3097.73 g/mol, XLogP of 61.06, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(3-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-2-ylphenyl)phenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(2-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157347476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).