2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine

C91H56N4O2 — CID 137465830

IUPAC2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(ccc6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3)cc(-c3ccc(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cn%10ccccc%10n9)cc8)c7)cc6)cc45)cc3)n2)cc1
InChIInChI=1S/C91H56N4O2/c1-3-11-62(12-4-1)82-51-74(60-22-18-57(19-23-60)67-36-41-76-72(47-67)34-35-73-48-68(37-42-77(73)76)70-40-45-88-80(50-70)78-15-7-8-16-87(78)96-88)53-84(92-82)64-28-26-59(27-29-64)71-38-43-79-81-49-69(39-44-89(81)97-90(79)55-71)58-20-24-61(25-21-58)75-52-83(63-13-5-2-6-14-63)93-85(54-75)65-30-32-66(33-31-65)86-56-95-46-10-9-17-91(95)94-86/h1-56H
InChIKeyISFHDSQFZMDXMZ-UHFFFAOYSA-N
MW1237.47 g/mol
LogP24.57
Rot. Bonds11

About 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine

2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 137465830) has the molecular formula C91H56N4O2 and a molecular weight of 1237.47 g/mol. Its IUPAC name is 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID137465830
Molecular FormulaC91H56N4O2
Molecular Weight1237.47 g/mol
Exact Mass1236.44
IUPAC Name2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(ccc6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3)cc(-c3ccc(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cn%10ccccc%10n9)cc8)c7)cc6)cc45)cc3)n2)cc1
InChIInChI=1S/C91H56N4O2/c1-3-11-62(12-4-1)82-51-74(60-22-18-57(19-23-60)67-36-41-76-72(47-67)34-35-73-48-68(37-42-77(73)76)70-40-45-88-80(50-70)78-15-7-8-16-87(78)96-88)53-84(92-82)64-28-26-59(27-29-64)71-38-43-79-81-49-69(39-44-89(81)97-90(79)55-71)58-20-24-61(25-21-58)75-52-83(63-13-5-2-6-14-63)93-85(54-75)65-30-32-66(33-31-65)86-56-95-46-10-9-17-91(95)94-86/h1-56H
InChIKeyISFHDSQFZMDXMZ-UHFFFAOYSA-N
XLogP24.57
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.47
LogP ≤ 524.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine (CID 137465830) is 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(ccc6cc(-c7ccc8oc9ccccc9c8c7)ccc65)c4)cc3)cc(-c3ccc(-c4ccc5c(c4)oc4ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccc(-c9cn%10ccccc%10n9)cc8)c7)cc6)cc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is ISFHDSQFZMDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H56N4O2/c1-3-11-62(12-4-1)82-51-74(60-22-18-57(19-23-60)67-36-41-76-72(47-67)34-35-73-48-68(37-42-77(73)76)70-40-45-88-80(50-70)78-15-7-8-16-87(78)96-88)53-84(92-82)64-28-26-59(27-29-64)71-38-43-79-81-49-69(39-44-89(81)97-90(79)55-71)58-20-24-61(25-21-58)75-52-83(63-13-5-2-6-14-63)93-85(54-75)65-30-32-66(33-31-65)86-56-95-46-10-9-17-91(95)94-86/h1-56H.
What are the key properties of 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine?
2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 1237.47 g/mol, XLogP of 24.57, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[7-[4-[4-[4-(7-dibenzofuran-2-ylphenanthren-2-yl)phenyl]-6-phenyl-2-pyridinyl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 137465830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).