3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine

C87H62N2O — CID 88905889

IUPAC3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)c(C6(c7ccccc7C)c7ccccc7C7C=CC=CC76)c5)cc4c4ncc(-c5cccc(-c6cccc7c8c(oc67)C=CCC8)c5)nc4c3c2)cc1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C87H62N2O/c1-53-21-7-13-33-74(53)87(77-36-16-10-28-68(77)69-29-11-17-37-78(69)87)80-51-59(42-40-55(80)3)56-43-45-64-65-46-44-57(58-41-39-54(2)79(50-58)86(62-24-5-4-6-25-62)75-34-14-8-26-66(75)67-27-9-15-35-76(67)86)49-73(65)84-83(72(64)48-56)88-52-81(89-84)61-23-19-22-60(47-61)63-31-20-32-71-70-30-12-18-38-82(70)90-85(63)71/h4-11,13-29,31-52,68,77H,12,30H2,1-3H3
InChIKeyCJJGUBQYTSIICK-UHFFFAOYSA-N
MW1151.47 g/mol
LogP21.77
Rot. Bonds8

About 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 88905889) has the molecular formula C87H62N2O and a molecular weight of 1151.47 g/mol. Its IUPAC name is 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID88905889
Molecular FormulaC87H62N2O
Molecular Weight1151.47 g/mol
Exact Mass1150.49
IUPAC Name3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)c(C6(c7ccccc7C)c7ccccc7C7C=CC=CC76)c5)cc4c4ncc(-c5cccc(-c6cccc7c8c(oc67)C=CCC8)c5)nc4c3c2)cc1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C87H62N2O/c1-53-21-7-13-33-74(53)87(77-36-16-10-28-68(77)69-29-11-17-37-78(69)87)80-51-59(42-40-55(80)3)56-43-45-64-65-46-44-57(58-41-39-54(2)79(50-58)86(62-24-5-4-6-25-62)75-34-14-8-26-66(75)67-27-9-15-35-76(67)86)49-73(65)84-83(72(64)48-56)88-52-81(89-84)61-23-19-22-60(47-61)63-31-20-32-71-70-30-12-18-38-82(70)90-85(63)71/h4-11,13-29,31-52,68,77H,12,30H2,1-3H3
InChIKeyCJJGUBQYTSIICK-UHFFFAOYSA-N
XLogP21.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.47
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-(3-carbazol-9-ylphenyl)-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-11-(9,9'-spirobi[fluorene]-2-yl)phenanthro[9,10-b]pyrazine
CID 88905893
3-[7-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063365
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
3-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58409973
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
2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88905815
3-[3-[3-[3-(4b,8a-dihydrophenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 123198771
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[3-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 129063368
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
3-(3-dibenzofuran-4-ylphenyl)-6,11-dimethylphenanthro[9,10-b]pyrazine
CID 58410295
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037

Frequently Asked Questions

What is the IUPAC name of 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 88905889) is 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)c(C6(c7ccccc7C)c7ccccc7C7C=CC=CC76)c5)cc4c4ncc(-c5cccc(-c6cccc7c8c(oc67)C=CCC8)c5)nc4c3c2)cc1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is CJJGUBQYTSIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H62N2O/c1-53-21-7-13-33-74(53)87(77-36-16-10-28-68(77)69-29-11-17-37-78(69)87)80-51-59(42-40-55(80)3)56-43-45-64-65-46-44-57(58-41-39-54(2)79(50-58)86(62-24-5-4-6-25-62)75-34-14-8-26-66(75)67-27-9-15-35-76(67)86)49-73(65)84-83(72(64)48-56)88-52-81(89-84)61-23-19-22-60(47-61)63-31-20-32-71-70-30-12-18-38-82(70)90-85(63)71/h4-11,13-29,31-52,68,77H,12,30H2,1-3H3.
What are the key properties of 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1151.47 g/mol, XLogP of 21.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-11-[4-methyl-3-[9-(2-methylphenyl)-4a,9a-dihydrofluoren-9-yl]phenyl]-6-[4-methyl-3-(9-phenylfluoren-9-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 88905889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).