5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline

C63H39N3 — CID 59184062

IUPAC5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ncccc67)cc5)c5ncccc45)cc3)c3cccnc23)cc1
InChIInChI=1S/C63H39N3/c1-3-16-40(17-4-1)58-49-23-10-7-20-46(49)55(52-26-13-37-64-61(52)58)42-29-31-43(32-30-42)56-48-22-9-12-25-51(48)60(63-54(56)28-15-39-66-63)45-35-33-44(34-36-45)57-47-21-8-11-24-50(47)59(41-18-5-2-6-19-41)62-53(57)27-14-38-65-62/h1-39H
InChIKeyGQRRRKAIGLDRSV-UHFFFAOYSA-N
MW838.03 g/mol
LogP16.79
Rot. Bonds6

About 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline

5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline (PubChem CID 59184062) has the molecular formula C63H39N3 and a molecular weight of 838.03 g/mol. Its IUPAC name is 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline.

Molecular Properties

Compound Name5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
PubChem CID59184062
Molecular FormulaC63H39N3
Molecular Weight838.03 g/mol
Exact Mass837.31
IUPAC Name5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ncccc67)cc5)c5ncccc45)cc3)c3cccnc23)cc1
InChIInChI=1S/C63H39N3/c1-3-16-40(17-4-1)58-49-23-10-7-20-46(49)55(52-26-13-37-64-61(52)58)42-29-31-43(32-30-42)56-48-22-9-12-25-51(48)60(63-54(56)28-15-39-66-63)45-35-33-44(34-36-45)57-47-21-8-11-24-50(47)59(41-18-5-2-6-19-41)62-53(57)27-14-38-65-62/h1-39H
InChIKeyGQRRRKAIGLDRSV-UHFFFAOYSA-N
XLogP16.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.03
LogP ≤ 516.79
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 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline?
The IUPAC name of 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline (CID 59184062) is 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline.
What is the SMILES notation for 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline?
The canonical SMILES for 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ncccc67)cc5)c5ncccc45)cc3)c3cccnc23)cc1.
What is the InChIKey of 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline?
The InChIKey is GQRRRKAIGLDRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3/c1-3-16-40(17-4-1)58-49-23-10-7-20-46(49)55(52-26-13-37-64-61(52)58)42-29-31-43(32-30-42)56-48-22-9-12-25-51(48)60(63-54(56)28-15-39-66-63)45-35-33-44(34-36-45)57-47-21-8-11-24-50(47)59(41-18-5-2-6-19-41)62-53(57)27-14-38-65-62/h1-39H.
What are the key properties of 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline?
5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline has a molecular weight of 838.03 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis[4-(10-phenylbenzo[g]quinolin-5-yl)phenyl]benzo[g]quinoline is sourced from PubChem (CID 59184062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).