2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline

C67H43N3 — CID 167363762

IUPAC2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7c(-c8ccccc8)c(-c8ccccc8)nc(-c8ccccc8)c7-c7ccccc7)cc6)c6ccccc56)nc4c3n2)cc1
InChIInChI=1S/C67H43N3/c1-6-20-44(21-7-1)57-42-40-51-38-39-52-41-43-58(69-67(52)66(51)68-57)63-55-32-18-16-30-53(55)59(54-31-17-19-33-56(54)63)47-34-36-48(37-35-47)60-61(45-22-8-2-9-23-45)64(49-26-12-4-13-27-49)70-65(50-28-14-5-15-29-50)62(60)46-24-10-3-11-25-46/h1-43H
InChIKeyIBJMCGZQLPPATO-UHFFFAOYSA-N
MW890.10 g/mol
LogP17.82
Rot. Bonds8

About 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline

2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline (PubChem CID 167363762) has the molecular formula C67H43N3 and a molecular weight of 890.10 g/mol. Its IUPAC name is 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline
PubChem CID167363762
Molecular FormulaC67H43N3
Molecular Weight890.10 g/mol
Exact Mass889.35
IUPAC Name2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7c(-c8ccccc8)c(-c8ccccc8)nc(-c8ccccc8)c7-c7ccccc7)cc6)c6ccccc56)nc4c3n2)cc1
InChIInChI=1S/C67H43N3/c1-6-20-44(21-7-1)57-42-40-51-38-39-52-41-43-58(69-67(52)66(51)68-57)63-55-32-18-16-30-53(55)59(54-31-17-19-33-56(54)63)47-34-36-48(37-35-47)60-61(45-22-8-2-9-23-45)64(49-26-12-4-13-27-49)70-65(50-28-14-5-15-29-50)62(60)46-24-10-3-11-25-46/h1-43H
InChIKeyIBJMCGZQLPPATO-UHFFFAOYSA-N
XLogP17.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-[10-(4-anthracen-9-ylphenyl)anthracen-9-yl]-9-phenyl-1,10-phenanthroline
CID 134596726
2-[4-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 156545444
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 167363724
2-phenanthren-9-yl-9-(10-phenylanthracen-9-yl)-1,10-phenanthroline
CID 176908226
9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574283
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
22-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146230955
21-[4-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146231003
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline (CID 167363762) is 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7c(-c8ccccc8)c(-c8ccccc8)nc(-c8ccccc8)c7-c7ccccc7)cc6)c6ccccc56)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline?
The InChIKey is IBJMCGZQLPPATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3/c1-6-20-44(21-7-1)57-42-40-51-38-39-52-41-43-58(69-67(52)66(51)68-57)63-55-32-18-16-30-53(55)59(54-31-17-19-33-56(54)63)47-34-36-48(37-35-47)60-61(45-22-8-2-9-23-45)64(49-26-12-4-13-27-49)70-65(50-28-14-5-15-29-50)62(60)46-24-10-3-11-25-46/h1-43H.
What are the key properties of 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline?
2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline has a molecular weight of 890.10 g/mol, XLogP of 17.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[10-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]anthracen-9-yl]-1,10-phenanthroline is sourced from PubChem (CID 167363762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).