2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline

C156H104N4O4 — CID 159320654

IUPAC2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)nc5c4nc3-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)nc5c4nc3-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/2C78H52N2O2/c1-77(2)65-23-9-5-15-55(65)57-39-37-49(43-67(57)77)63-41-51-35-36-52-42-64(50-38-40-58-56-16-6-10-24-66(56)78(3,4)68(58)44-50)72(48-33-29-46(30-34-48)54-20-14-22-62-60-18-8-12-26-70(60)82-76(54)62)80-74(52)73(51)79-71(63)47-31-27-45(28-32-47)53-19-13-21-61-59-17-7-11-25-69(59)81-75(53)61;1-77(2)65-17-9-5-13-55(65)57-35-31-51(43-67(57)77)61-41-53-29-30-54-42-62(52-32-36-58-56-14-6-10-18-66(56)78(3,4)68(58)44-52)74(48-27-23-46(24-28-48)50-34-38-72-64(40-50)60-16-8-12-20-70(60)82-72)80-76(54)75(53)79-73(61)47-25-21-45(22-26-47)49-33-37-71-63(39-49)59-15-7-11-19-69(59)81-71/h2*5-44H,1-4H3
InChIKeyLDSHZGQIEZUVDR-UHFFFAOYSA-N
MW2098.57 g/mol
LogP42.39
Rot. Bonds12

About 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline

2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline (PubChem CID 159320654) has the molecular formula C156H104N4O4 and a molecular weight of 2098.57 g/mol. Its IUPAC name is 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
PubChem CID159320654
Molecular FormulaC156H104N4O4
Molecular Weight2098.57 g/mol
Exact Mass2096.81
IUPAC Name2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)nc5c4nc3-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)nc5c4nc3-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/2C78H52N2O2/c1-77(2)65-23-9-5-15-55(65)57-39-37-49(43-67(57)77)63-41-51-35-36-52-42-64(50-38-40-58-56-16-6-10-24-66(56)78(3,4)68(58)44-50)72(48-33-29-46(30-34-48)54-20-14-22-62-60-18-8-12-26-70(60)82-76(54)62)80-74(52)73(51)79-71(63)47-31-27-45(28-32-47)53-19-13-21-61-59-17-7-11-25-69(59)81-75(53)61;1-77(2)65-17-9-5-13-55(65)57-35-31-51(43-67(57)77)61-41-53-29-30-54-42-62(52-32-36-58-56-14-6-10-18-66(56)78(3,4)68(58)44-52)74(48-27-23-46(24-28-48)50-34-38-72-64(40-50)60-16-8-12-20-70(60)82-72)80-76(54)75(53)79-73(61)47-25-21-45(22-26-47)49-33-37-71-63(39-49)59-15-7-11-19-69(59)81-71/h2*5-44H,1-4H3
InChIKeyLDSHZGQIEZUVDR-UHFFFAOYSA-N
XLogP42.39
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002098.57
LogP ≤ 542.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline with MolForge

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Related Compounds

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
4-[3-[4-(10,10-dimethyl-16-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)phenyl]phenyl]dibenzofuran
CID 118360081
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 161122993
2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
CID 166902274
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
7-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;8-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 162150643
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
3-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;4-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-1-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-2-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-3-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-4-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran
CID 160855811
4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 159545616

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline (CID 159320654) is 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)nc5c4nc3-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4ccc5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)nc5c4nc3-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The InChIKey is LDSHZGQIEZUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H52N2O2/c1-77(2)65-23-9-5-15-55(65)57-39-37-49(43-67(57)77)63-41-51-35-36-52-42-64(50-38-40-58-56-16-6-10-24-66(56)78(3,4)68(58)44-50)72(48-33-29-46(30-34-48)54-20-14-22-62-60-18-8-12-26-70(60)82-76(54)62)80-74(52)73(51)79-71(63)47-31-27-45(28-32-47)53-19-13-21-61-59-17-7-11-25-69(59)81-75(53)61;1-77(2)65-17-9-5-13-55(65)57-35-31-51(43-67(57)77)61-41-53-29-30-54-42-62(52-32-36-58-56-14-6-10-18-66(56)78(3,4)68(58)44-52)74(48-27-23-46(24-28-48)50-34-38-72-64(40-50)60-16-8-12-20-70(60)82-72)80-76(54)75(53)79-73(61)47-25-21-45(22-26-47)49-33-37-71-63(39-49)59-15-7-11-19-69(59)81-71/h2*5-44H,1-4H3.
What are the key properties of 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline has a molecular weight of 2098.57 g/mol, XLogP of 42.39, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 159320654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).