10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine

C123H78N6O3 — CID 159699923

IUPAC10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c2oc3c(C)cc(-c4ccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4)cc3c2c1.c1ccc(-c2ccc3oc4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc23)cc1
InChIInChI=1S/C46H28N2O.C40H24N2O.C37H26N2O/c1-3-12-29(13-4-1)35-20-11-21-39-42-28-32(27-40(46(42)49-45(35)39)30-14-5-2-6-15-30)34-17-8-7-16-33(34)31-22-23-38-41(26-31)36-18-9-10-19-37(36)43-44(38)48-25-24-47-43;1-2-8-25(9-3-1)26-15-18-37-35(22-26)36-24-28(16-19-38(36)43-37)30-11-5-4-10-29(30)27-14-17-33-34(23-27)31-12-6-7-13-32(31)39-40(33)42-21-20-41-39;1-21-16-22(2)36-32(17-21)33-20-27(18-23(3)37(33)40-36)25-10-8-24(9-11-25)26-12-13-30-31(19-26)28-6-4-5-7-29(28)34-35(30)39-15-14-38-34/h1-28H;1-24H;4-20H,1-3H3
InChIKeyMXMKRGCVMOOMLA-UHFFFAOYSA-N
MW1688.02 g/mol
LogP33.44
Rot. Bonds9

About 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine

10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159699923) has the molecular formula C123H78N6O3 and a molecular weight of 1688.02 g/mol. Its IUPAC name is 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID159699923
Molecular FormulaC123H78N6O3
Molecular Weight1688.02 g/mol
Exact Mass1686.61
IUPAC Name10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1cc(C)c2oc3c(C)cc(-c4ccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4)cc3c2c1.c1ccc(-c2ccc3oc4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc23)cc1
InChIInChI=1S/C46H28N2O.C40H24N2O.C37H26N2O/c1-3-12-29(13-4-1)35-20-11-21-39-42-28-32(27-40(46(42)49-45(35)39)30-14-5-2-6-15-30)34-17-8-7-16-33(34)31-22-23-38-41(26-31)36-18-9-10-19-37(36)43-44(38)48-25-24-47-43;1-2-8-25(9-3-1)26-15-18-37-35(22-26)36-24-28(16-19-38(36)43-37)30-11-5-4-10-29(30)27-14-17-33-34(23-27)31-12-6-7-13-32(31)39-40(33)42-21-20-41-39;1-21-16-22(2)36-32(17-21)33-20-27(18-23(3)37(33)40-36)25-10-8-24(9-11-25)26-12-13-30-31(19-26)28-6-4-5-7-29(28)34-35(30)39-15-14-38-34/h1-28H;1-24H;4-20H,1-3H3
InChIKeyMXMKRGCVMOOMLA-UHFFFAOYSA-N
XLogP33.44
TPSA116.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001688.02
LogP ≤ 533.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

10-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(6-methyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159346875
7-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-2-ylphenyl)-3-methylphenanthro[9,10-b]pyrazine;10-[2-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 158322002
10-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 88858439
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
6,11-bis[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89417071
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858424
3-[2-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[2,8-bis(3-phenylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[2,8-diphenyl-6-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158983226
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
methane;2-methyl-6-[3-(8-methyldibenzofuran-4-yl)phenyl]dibenzofuran;4-methyl-6-[3-(6-methyldibenzofuran-4-yl)phenyl]dibenzofuran;6-methyl-2-[3-(6-methyldibenzofuran-2-yl)phenyl]dibenzofuran;2-methyl-8-[2-(3-methylphenyl)dibenzofuran-4-yl]dibenzofuran;2-methyl-8-[4-(3-methylphenyl)dibenzofuran-2-yl]dibenzofuran
CID 161126679
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
4-methyl-2,6,8-triphenyldibenzofuran
CID 71273276

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 159699923) is 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1cc(C)c2oc3c(C)cc(-c4ccc(-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4)cc3c2c1.c1ccc(-c2ccc3oc4ccc(-c5ccccc5-c5ccc6c(c5)c5ccccc5c5nccnc65)cc4c3c2)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4c4nccnc54)cc23)cc1.
What is the InChIKey of 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is MXMKRGCVMOOMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O.C40H24N2O.C37H26N2O/c1-3-12-29(13-4-1)35-20-11-21-39-42-28-32(27-40(46(42)49-45(35)39)30-14-5-2-6-15-30)34-17-8-7-16-33(34)31-22-23-38-41(26-31)36-18-9-10-19-37(36)43-44(38)48-25-24-47-43;1-2-8-25(9-3-1)26-15-18-37-35(22-26)36-24-28(16-19-38(36)43-37)30-11-5-4-10-29(30)27-14-17-33-34(23-27)31-12-6-7-13-32(31)39-40(33)42-21-20-41-39;1-21-16-22(2)36-32(17-21)33-20-27(18-23(3)37(33)40-36)25-10-8-24(9-11-25)26-12-13-30-31(19-26)28-6-4-5-7-29(28)34-35(30)39-15-14-38-34/h1-28H;1-24H;4-20H,1-3H3.
What are the key properties of 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine?
10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1688.02 g/mol, XLogP of 33.44, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine;10-[4-(4,6,8-trimethyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159699923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).