3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine

C248H152N10O5 — CID 159901904

IUPAC3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cnc21.Cc1ccc2c3ccc(C)cc3c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cnc3c2c1.c1cc(-c2cnc3c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cnc4c3c2)cc1
InChIInChI=1S/C84H48N2O.2C46H28N2O.2C36H24N2O/c1-8-28-70-58(19-1)59-20-2-9-29-71(59)83(70)74-32-12-5-23-62(74)64-41-37-51(46-76(64)83)49-35-39-56-57-40-36-50(52-38-42-65-63-24-6-13-33-75(63)84(77(65)47-52)72-30-10-3-21-60(72)61-22-4-11-31-73(61)84)45-69(57)81-80(68(56)44-49)85-48-78(86-81)54-18-15-17-53(43-54)55-26-16-27-67-66-25-7-14-34-79(66)87-82(55)67;1-3-10-29(11-4-1)33-22-24-36-37-25-23-34(30-12-5-2-6-13-30)27-41(37)45-44(40(36)26-33)47-28-42(48-45)32-20-18-31(19-21-32)35-15-9-16-39-38-14-7-8-17-43(38)49-46(35)39;1-3-10-29(11-4-1)33-22-24-37-40(26-33)41-27-34(30-12-5-2-6-13-30)23-25-38(41)45-44(37)47-28-42(48-45)32-20-18-31(19-21-32)35-15-9-16-39-36-14-7-8-17-43(36)49-46(35)39;1-21-10-16-26-27-17-11-22(2)19-31(27)35-34(30(26)18-21)37-20-32(38-35)24-14-12-23(13-15-24)25-7-5-8-29-28-6-3-4-9-33(28)39-36(25)29;1-21-10-16-27-30(18-21)31-19-22(2)11-17-28(31)35-34(27)37-20-32(38-35)24-14-12-23(13-15-24)25-7-5-8-29-26-6-3-4-9-33(26)39-36(25)29/h1-48H;2*1-28H;2*3-20H,1-2H3
InChIKeyNWBMHWQCUAQWGP-UHFFFAOYSA-N
MW3352.01 g/mol
LogP65.77
Rot. Bonds16

About 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine

3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine (PubChem CID 159901904) has the molecular formula C248H152N10O5 and a molecular weight of 3352.01 g/mol. Its IUPAC name is 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
PubChem CID159901904
Molecular FormulaC248H152N10O5
Molecular Weight3352.01 g/mol
Exact Mass3349.19
IUPAC Name3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
SMILESCc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cnc21.Cc1ccc2c3ccc(C)cc3c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cnc3c2c1.c1cc(-c2cnc3c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cnc4c3c2)cc1
InChIInChI=1S/C84H48N2O.2C46H28N2O.2C36H24N2O/c1-8-28-70-58(19-1)59-20-2-9-29-71(59)83(70)74-32-12-5-23-62(74)64-41-37-51(46-76(64)83)49-35-39-56-57-40-36-50(52-38-42-65-63-24-6-13-33-75(63)84(77(65)47-52)72-30-10-3-21-60(72)61-22-4-11-31-73(61)84)45-69(57)81-80(68(56)44-49)85-48-78(86-81)54-18-15-17-53(43-54)55-26-16-27-67-66-25-7-14-34-79(66)87-82(55)67;1-3-10-29(11-4-1)33-22-24-36-37-25-23-34(30-12-5-2-6-13-30)27-41(37)45-44(40(36)26-33)47-28-42(48-45)32-20-18-31(19-21-32)35-15-9-16-39-38-14-7-8-17-43(38)49-46(35)39;1-3-10-29(11-4-1)33-22-24-37-40(26-33)41-27-34(30-12-5-2-6-13-30)23-25-38(41)45-44(37)47-28-42(48-45)32-20-18-31(19-21-32)35-15-9-16-39-36-14-7-8-17-43(36)49-46(35)39;1-21-10-16-26-27-17-11-22(2)19-31(27)35-34(30(26)18-21)37-20-32(38-35)24-14-12-23(13-15-24)25-7-5-8-29-28-6-3-4-9-33(28)39-36(25)29;1-21-10-16-27-30(18-21)31-19-22(2)11-17-28(31)35-34(27)37-20-32(38-35)24-14-12-23(13-15-24)25-7-5-8-29-26-6-3-4-9-33(26)39-36(25)29/h1-48H;2*1-28H;2*3-20H,1-2H3
InChIKeyNWBMHWQCUAQWGP-UHFFFAOYSA-N
XLogP65.77
TPSA194.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003352.01
LogP ≤ 565.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[7-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063365
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58409973
6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158787071
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine (CID 159901904) is 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine is Cc1ccc2c(c1)c1cc(C)ccc1c1nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cnc21.Cc1ccc2c3ccc(C)cc3c3nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cnc3c2c1.c1cc(-c2cnc3c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc4c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c3n2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cnc4c3c2)cc1.
What is the InChIKey of 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?
The InChIKey is NWBMHWQCUAQWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N2O.2C46H28N2O.2C36H24N2O/c1-8-28-70-58(19-1)59-20-2-9-29-71(59)83(70)74-32-12-5-23-62(74)64-41-37-51(46-76(64)83)49-35-39-56-57-40-36-50(52-38-42-65-63-24-6-13-33-75(63)84(77(65)47-52)72-30-10-3-21-60(72)61-22-4-11-31-73(61)84)45-69(57)81-80(68(56)44-49)85-48-78(86-81)54-18-15-17-53(43-54)55-26-16-27-67-66-25-7-14-34-79(66)87-82(55)67;1-3-10-29(11-4-1)33-22-24-36-37-25-23-34(30-12-5-2-6-13-30)27-41(37)45-44(40(36)26-33)47-28-42(48-45)32-20-18-31(19-21-32)35-15-9-16-39-38-14-7-8-17-43(38)49-46(35)39;1-3-10-29(11-4-1)33-22-24-37-40(26-33)41-27-34(30-12-5-2-6-13-30)23-25-38(41)45-44(37)47-28-42(48-45)32-20-18-31(19-21-32)35-15-9-16-39-36-14-7-8-17-43(36)49-46(35)39;1-21-10-16-26-27-17-11-22(2)19-31(27)35-34(30(26)18-21)37-20-32(38-35)24-14-12-23(13-15-24)25-7-5-8-29-28-6-3-4-9-33(28)39-36(25)29;1-21-10-16-27-30(18-21)31-19-22(2)11-17-28(31)35-34(27)37-20-32(38-35)24-14-12-23(13-15-24)25-7-5-8-29-26-6-3-4-9-33(26)39-36(25)29/h1-48H;2*1-28H;2*3-20H,1-2H3.
What are the key properties of 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine?
3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine has a molecular weight of 3352.01 g/mol, XLogP of 65.77, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzofuran-4-ylphenyl)-6,11-bis(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-dimethylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159901904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).