3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline

C95H54N6O — CID 167205587

IUPAC3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4nc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6cc7cc(-c8cc(-c9ccc%10c(ccc%11c%12ccccc%12oc%10%11)n9)c9cc%10ccccc%10cc9c8-c8ccc9ccc%10cccnc%10c9n8)ccc7cc56)ccc4c32)cc1
InChIInChI=1S/C95H54N6O/c1-3-19-64(20-4-1)95(65-21-5-2-6-22-65)80-25-11-9-23-66(80)70-37-43-83-72(89(70)95)39-45-81(98-83)67-35-36-68(82-41-33-57-29-27-55-17-13-47-96-90(55)92(57)100-82)76-53-63-49-62(32-31-61(63)51-75(67)76)74-54-78(85-46-40-73-84(99-85)44-38-71-69-24-10-12-26-87(69)102-94(71)73)77-50-59-15-7-8-16-60(59)52-79(77)88(74)86-42-34-58-30-28-56-18-14-48-97-91(56)93(58)101-86/h1-54H
InChIKeyNDANEJJQSPRGIA-UHFFFAOYSA-N
MW1295.52 g/mol
LogP24.19
Rot. Bonds7

About 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline

3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline (PubChem CID 167205587) has the molecular formula C95H54N6O and a molecular weight of 1295.52 g/mol. Its IUPAC name is 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline.

Molecular Properties

Compound Name3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline
PubChem CID167205587
Molecular FormulaC95H54N6O
Molecular Weight1295.52 g/mol
Exact Mass1294.44
IUPAC Name3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4nc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6cc7cc(-c8cc(-c9ccc%10c(ccc%11c%12ccccc%12oc%10%11)n9)c9cc%10ccccc%10cc9c8-c8ccc9ccc%10cccnc%10c9n8)ccc7cc56)ccc4c32)cc1
InChIInChI=1S/C95H54N6O/c1-3-19-64(20-4-1)95(65-21-5-2-6-22-65)80-25-11-9-23-66(80)70-37-43-83-72(89(70)95)39-45-81(98-83)67-35-36-68(82-41-33-57-29-27-55-17-13-47-96-90(55)92(57)100-82)76-53-63-49-62(32-31-61(63)51-75(67)76)74-54-78(85-46-40-73-84(99-85)44-38-71-69-24-10-12-26-87(69)102-94(71)73)77-50-59-15-7-8-16-60(59)52-79(77)88(74)86-42-34-58-30-28-56-18-14-48-97-91(56)93(58)101-86/h1-54H
InChIKeyNDANEJJQSPRGIA-UHFFFAOYSA-N
XLogP24.19
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.52
LogP ≤ 524.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline with MolForge

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Related Compounds

3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 138739023
2-(9,9-diphenyl-2-quinolin-6-ylfluoren-3-yl)-1,10-phenanthroline
CID 142453620
2-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-1,10-phenanthroline
CID 165152115
2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453502
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353
2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
2-[3-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,10-phenanthroline
CID 164834871
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
7-[8-[4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]quinoline
CID 176588048
4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602923
2-[6-(11,11-diphenylbenzo[a]fluoren-6-yl)naphthalen-2-yl]dibenzofuran
CID 166034517

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline?
The IUPAC name of 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline (CID 167205587) is 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline.
What is the SMILES notation for 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline?
The canonical SMILES for 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc4nc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6cc7cc(-c8cc(-c9ccc%10c(ccc%11c%12ccccc%12oc%10%11)n9)c9cc%10ccccc%10cc9c8-c8ccc9ccc%10cccnc%10c9n8)ccc7cc56)ccc4c32)cc1.
What is the InChIKey of 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline?
The InChIKey is NDANEJJQSPRGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H54N6O/c1-3-19-64(20-4-1)95(65-21-5-2-6-22-65)80-25-11-9-23-66(80)70-37-43-83-72(89(70)95)39-45-81(98-83)67-35-36-68(82-41-33-57-29-27-55-17-13-47-96-90(55)92(57)100-82)76-53-63-49-62(32-31-61(63)51-75(67)76)74-54-78(85-46-40-73-84(99-85)44-38-71-69-24-10-12-26-87(69)102-94(71)73)77-50-59-15-7-8-16-60(59)52-79(77)88(74)86-42-34-58-30-28-56-18-14-48-97-91(56)93(58)101-86/h1-54H.
What are the key properties of 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline?
3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline has a molecular weight of 1295.52 g/mol, XLogP of 24.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(11,11-diphenylindeno[2,1-f]quinolin-3-yl)-8-(1,10-phenanthrolin-2-yl)anthracen-2-yl]-4-(1,10-phenanthrolin-2-yl)anthracen-1-yl]-[1]benzofuro[2,3-f]quinoline is sourced from PubChem (CID 167205587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).