9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline

C52H32N2 — CID 59010374

IUPAC9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
SMILESc1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)cc9c8n7)cc6)nc5c4c3)ccc2c1
InChIInChI=1S/C52H32N2/c1-3-7-41-29-43(21-9-33(41)5-1)45-23-13-35-11-19-39-25-27-49(53-51(39)47(35)31-45)37-15-17-38(18-16-37)50-28-26-40-20-12-36-14-24-46(32-48(36)52(40)54-50)44-22-10-34-6-2-4-8-42(34)30-44/h1-32H
InChIKeyJZDOUDCQKOIYOV-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.06
Rot. Bonds4

About 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline

9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline (PubChem CID 59010374) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
PubChem CID59010374
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
SMILESc1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)cc9c8n7)cc6)nc5c4c3)ccc2c1
InChIInChI=1S/C52H32N2/c1-3-7-41-29-43(21-9-33(41)5-1)45-23-13-35-11-19-39-25-27-49(53-51(39)47(35)31-45)37-15-17-38(18-16-37)50-28-26-40-20-12-36-14-24-46(32-48(36)52(40)54-50)44-22-10-34-6-2-4-8-42(34)30-44/h1-32H
InChIKeyJZDOUDCQKOIYOV-UHFFFAOYSA-N
XLogP14.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 155022869
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
9-naphthalen-1-yl-2-[4-[2-[4-(9-naphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]phenyl]phenyl]benzo[h]quinoline
CID 59010410
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
4,9-diphenyl-2-[4-(9-phenylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010497
2-naphthalen-2-yl-9-[4-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 59010533
9-(3,5-dimethylphenyl)-2-[4-[9-(3,5-dimethylphenyl)benzo[h]quinolin-2-yl]phenyl]benzo[h]quinoline
CID 59010491
(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane
CID 164986129
2-(3-naphthalen-2-ylphenyl)-9-pyridin-4-yl-1,10-phenanthroline
CID 134167550
iridium;2-phenylbenzo[h]quinoline
CID 175438986
CID 89063916
CID 89063916
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline (CID 59010374) is 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline is c1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8ccc9ccc(-c%10ccc%11ccccc%11c%10)cc9c8n7)cc6)nc5c4c3)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?
The InChIKey is JZDOUDCQKOIYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-7-41-29-43(21-9-33(41)5-1)45-23-13-35-11-19-39-25-27-49(53-51(39)47(35)31-45)37-15-17-38(18-16-37)50-28-26-40-20-12-36-14-24-46(32-48(36)52(40)54-50)44-22-10-34-6-2-4-8-42(34)30-44/h1-32H.
What are the key properties of 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline?
9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline has a molecular weight of 684.84 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 59010374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).