5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline

C67H41N3 — CID 59184049

IUPAC5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ncccc67)cc5)c5ncccc45)cc3)c3cccnc23)cc1
InChIInChI=1S/C67H41N3/c1-2-16-43(17-3-1)62-53-22-9-6-19-50(53)59(56-25-12-38-68-65(56)62)44-29-31-45(32-30-44)60-51-20-7-10-23-54(51)63(66-57(60)26-13-39-69-66)47-35-33-46(34-36-47)61-52-21-8-11-24-55(52)64(67-58(61)27-14-40-70-67)49-37-28-42-15-4-5-18-48(42)41-49/h1-41H
InChIKeyZAVHWSDVPLSZHW-UHFFFAOYSA-N
MW888.09 g/mol
LogP17.95
Rot. Bonds6

About 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline

5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline (PubChem CID 59184049) has the molecular formula C67H41N3 and a molecular weight of 888.09 g/mol. Its IUPAC name is 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline.

Molecular Properties

Compound Name5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline
PubChem CID59184049
Molecular FormulaC67H41N3
Molecular Weight888.09 g/mol
Exact Mass887.33
IUPAC Name5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ncccc67)cc5)c5ncccc45)cc3)c3cccnc23)cc1
InChIInChI=1S/C67H41N3/c1-2-16-43(17-3-1)62-53-22-9-6-19-50(53)59(56-25-12-38-68-65(56)62)44-29-31-45(32-30-44)60-51-20-7-10-23-54(51)63(66-57(60)26-13-39-69-66)47-35-33-46(34-36-47)61-52-21-8-11-24-55(52)64(67-58(61)27-14-40-70-67)49-37-28-42-15-4-5-18-48(42)41-49/h1-41H
InChIKeyZAVHWSDVPLSZHW-UHFFFAOYSA-N
XLogP17.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.09
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline?
The IUPAC name of 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline (CID 59184049) is 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline.
What is the SMILES notation for 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline?
The canonical SMILES for 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ncccc67)cc5)c5ncccc45)cc3)c3cccnc23)cc1.
What is the InChIKey of 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline?
The InChIKey is ZAVHWSDVPLSZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N3/c1-2-16-43(17-3-1)62-53-22-9-6-19-50(53)59(56-25-12-38-68-65(56)62)44-29-31-45(32-30-44)60-51-20-7-10-23-54(51)63(66-57(60)26-13-39-69-66)47-35-33-46(34-36-47)61-52-21-8-11-24-55(52)64(67-58(61)27-14-40-70-67)49-37-28-42-15-4-5-18-48(42)41-49/h1-41H.
What are the key properties of 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline?
5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline has a molecular weight of 888.09 g/mol, XLogP of 17.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[10-[4-(10-naphthalen-2-ylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinolin-5-yl]phenyl]-10-phenylbenzo[g]quinoline is sourced from PubChem (CID 59184049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).