4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline

C57H35N — CID 118261958

IUPAC4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C57H35N/c1-2-14-36(15-3-1)51-35-53(58-52-27-11-10-21-44(51)52)43-20-4-5-22-45(43)57-48-25-8-6-23-46(48)55(47-24-7-9-26-49(47)57)41-19-13-18-40(34-41)42-32-30-39-29-28-37-16-12-17-38-31-33-50(42)56(39)54(37)38/h1-35H
InChIKeyMTECZSVWFJEUNC-UHFFFAOYSA-N
MW733.91 g/mol
LogP15.77
Rot. Bonds5

About 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline

4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline (PubChem CID 118261958) has the molecular formula C57H35N and a molecular weight of 733.91 g/mol. Its IUPAC name is 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline.

Molecular Properties

Compound Name4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
PubChem CID118261958
Molecular FormulaC57H35N
Molecular Weight733.91 g/mol
Exact Mass733.28
IUPAC Name4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc34)nc3ccccc23)cc1
InChIInChI=1S/C57H35N/c1-2-14-36(15-3-1)51-35-53(58-52-27-11-10-21-44(51)52)43-20-4-5-22-45(43)57-48-25-8-6-23-46(48)55(47-24-7-9-26-49(47)57)41-19-13-18-40(34-41)42-32-30-39-29-28-37-16-12-17-38-31-33-50(42)56(39)54(37)38/h1-35H
InChIKeyMTECZSVWFJEUNC-UHFFFAOYSA-N
XLogP15.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

9-(3-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)anthracene;1-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 165031655
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
1-[4-[3,5-bis(10-phenylanthracen-9-yl)phenyl]phenyl]-6-phenylpyrene;1-[3-[3-methyl-5-(10-phenylanthracen-9-yl)phenyl]-5-(10-phenylanthracen-9-yl)phenyl]pyrene;1-[3-[3-(10-phenylanthracen-9-yl)-5-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]phenyl]pyrene;1-[3-(10-phenylanthracen-9-yl)-5-[3-phenyl-5-(10-phenylanthracen-9-yl)phenyl]phenyl]pyrene
CID 159079152
6-[2-tert-butyl-10-(4-phenyl-2-pyren-1-ylquinolin-6-yl)anthracen-9-yl]-4-phenyl-2-pyren-1-ylquinoline
CID 141395548
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
CID 164706329
1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]pyrene
CID 59859301
9-[3-(3,5-diphenylphenyl)phenyl]-10-naphthalen-1-ylanthracene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 165107322
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
2-phenyl-8-(10-phenylanthracen-9-yl)dibenzofuran;1-[3-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 158099931

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline?
The IUPAC name of 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline (CID 118261958) is 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline.
What is the SMILES notation for 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline?
The canonical SMILES for 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccccc3-c3c4ccccc4c(-c4cccc(-c5ccc6ccc7cccc8ccc5c6c78)c4)c4ccccc34)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline?
The InChIKey is MTECZSVWFJEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N/c1-2-14-36(15-3-1)51-35-53(58-52-27-11-10-21-44(51)52)43-20-4-5-22-45(43)57-48-25-8-6-23-46(48)55(47-24-7-9-26-49(47)57)41-19-13-18-40(34-41)42-32-30-39-29-28-37-16-12-17-38-31-33-50(42)56(39)54(37)38/h1-35H.
What are the key properties of 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline?
4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline has a molecular weight of 733.91 g/mol, XLogP of 15.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-[10-(3-pyren-1-ylphenyl)anthracen-9-yl]phenyl]quinoline is sourced from PubChem (CID 118261958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).