6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline

C36H22N2 — CID 121287378

IUPAC6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline
SMILESc1ccc2c(c1)c(-c1ccc3cnccc3c1)cc1ccc3cc(-c4ccc5cnccc5c4)ccc3c12
InChIInChI=1S/C36H22N2/c1-2-4-34-33(3-1)35(28-7-10-31-22-38-16-14-26(31)19-28)20-29-8-6-27-18-24(11-12-32(27)36(29)34)23-5-9-30-21-37-15-13-25(30)17-23/h1-22H
InChIKeyRIAAKQDXKMJCJA-UHFFFAOYSA-N
MW482.59 g/mol
LogP9.58
Rot. Bonds2

About 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline

6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline (PubChem CID 121287378) has the molecular formula C36H22N2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline.

Molecular Properties

Compound Name6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline
PubChem CID121287378
Molecular FormulaC36H22N2
Molecular Weight482.59 g/mol
Exact Mass482.18
IUPAC Name6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline
SMILESc1ccc2c(c1)c(-c1ccc3cnccc3c1)cc1ccc3cc(-c4ccc5cnccc5c4)ccc3c12
InChIInChI=1S/C36H22N2/c1-2-4-34-33(3-1)35(28-7-10-31-22-38-16-14-26(31)19-28)20-29-8-6-27-18-24(11-12-32(27)36(29)34)23-5-9-30-21-37-15-13-25(30)17-23/h1-22H
InChIKeyRIAAKQDXKMJCJA-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline with MolForge

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Related Compounds

8-naphthalen-2-yl-3-phenylbenzo[c]phenanthrene
CID 123277337
6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)isoquinoline
CID 59330329
6-naphthalen-2-ylisoquinoline
CID 59724414
6-(3-fluoranthen-3-ylphenyl)isoquinoline
CID 121287554
5-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[c]phenanthrene
CID 58037147
5-(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)benzo[c]phenanthrene
CID 123689290
5-[7-(4-naphthalen-1-ylphenyl)phenanthren-2-yl]benzo[c]phenanthrene
CID 59638777
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
6-[2,6-di(anthracen-9-yl)-4-pyridinyl]isoquinoline
CID 154599243
2-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)-8-phenanthren-9-yldibenzofuran
CID 58569484
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
3,7-bis(7-benzo[c]phenanthren-5-ylnaphthalen-2-yl)dibenzofuran
CID 58569636

Frequently Asked Questions

What is the IUPAC name of 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline?
The IUPAC name of 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline (CID 121287378) is 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline.
What is the SMILES notation for 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline?
The canonical SMILES for 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline is c1ccc2c(c1)c(-c1ccc3cnccc3c1)cc1ccc3cc(-c4ccc5cnccc5c4)ccc3c12.
What is the InChIKey of 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline?
The InChIKey is RIAAKQDXKMJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2/c1-2-4-34-33(3-1)35(28-7-10-31-22-38-16-14-26(31)19-28)20-29-8-6-27-18-24(11-12-32(27)36(29)34)23-5-9-30-21-37-15-13-25(30)17-23/h1-22H.
What are the key properties of 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline?
6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline has a molecular weight of 482.59 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline is sourced from PubChem (CID 121287378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).