11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine

C37H26N2 — CID 59183513

IUPAC11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2ccncc12
InChIInChI=1S/C37H26N2/c1-4-14-28-25(10-1)13-9-17-29(28)36-30-15-5-6-16-32(30)37(33-24-38-23-22-31(33)36)39-34-18-7-2-11-26(34)20-21-27-12-3-8-19-35(27)39/h1-19,22-24H,20-21H2
InChIKeyWOJSUUQSPROICL-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.78
Rot. Bonds2

About 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine

11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 59183513) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID59183513
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2ccncc12
InChIInChI=1S/C37H26N2/c1-4-14-28-25(10-1)13-9-17-29(28)36-30-15-5-6-16-32(30)37(33-24-38-23-22-31(33)36)39-34-18-7-2-11-26(34)20-21-27-12-3-8-19-35(27)39/h1-19,22-24H,20-21H2
InChIKeyWOJSUUQSPROICL-UHFFFAOYSA-N
XLogP9.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183762
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220622
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220351
10-(5-phenylbenzo[g]isoquinolin-10-yl)phenothiazine
CID 59183317
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
10-dibenzofuran-4-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183399
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183079
11-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 88549554
5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788

Frequently Asked Questions

What is the IUPAC name of 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine (CID 59183513) is 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine is c1ccc2c(c1)CCc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2ccncc12.
What is the InChIKey of 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is WOJSUUQSPROICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-4-14-28-25(10-1)13-9-17-29(28)36-30-15-5-6-16-32(30)37(33-24-38-23-22-31(33)36)39-34-18-7-2-11-26(34)20-21-27-12-3-8-19-35(27)39/h1-19,22-24H,20-21H2.
What are the key properties of 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine?
11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 498.63 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 59183513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).