10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline

C39H23N — CID 59183762

IUPAC10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
SMILESc1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccncc45)ccc-2c13
InChIInChI=1S/C39H23N/c1-2-11-25-24(9-1)10-7-16-28(25)37-30-14-5-6-15-31(30)39(36-23-40-22-21-35(36)37)34-20-19-33-27-13-4-3-12-26(27)29-17-8-18-32(34)38(29)33/h1-23H
InChIKeyJBMAJWQHKWCONZ-UHFFFAOYSA-N
MW505.62 g/mol
LogP10.68
Rot. Bonds2

About 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline

10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline (PubChem CID 59183762) has the molecular formula C39H23N and a molecular weight of 505.62 g/mol. Its IUPAC name is 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline.

Molecular Properties

Compound Name10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
PubChem CID59183762
Molecular FormulaC39H23N
Molecular Weight505.62 g/mol
Exact Mass505.18
IUPAC Name10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
SMILESc1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccncc45)ccc-2c13
InChIInChI=1S/C39H23N/c1-2-11-25-24(9-1)10-7-16-28(25)37-30-14-5-6-15-31(30)39(36-23-40-22-21-35(36)37)34-20-19-33-27-13-4-3-12-26(27)29-17-8-18-32(34)38(29)33/h1-23H
InChIKeyJBMAJWQHKWCONZ-UHFFFAOYSA-N
XLogP10.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-dibenzofuran-4-yl-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183399
10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183079
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229
17-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaene
CID 155762703
11-(5-naphthalen-1-ylbenzo[g]isoquinolin-10-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 59183513
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
13-pyren-1-ylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 145350843

Frequently Asked Questions

What is the IUPAC name of 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline?
The IUPAC name of 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline (CID 59183762) is 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline.
What is the SMILES notation for 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline?
The canonical SMILES for 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline is c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccncc45)ccc-2c13.
What is the InChIKey of 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline?
The InChIKey is JBMAJWQHKWCONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N/c1-2-11-25-24(9-1)10-7-16-28(25)37-30-14-5-6-15-31(30)39(36-23-40-22-21-35(36)37)34-20-19-33-27-13-4-3-12-26(27)29-17-8-18-32(34)38(29)33/h1-23H.
What are the key properties of 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline?
10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline has a molecular weight of 505.62 g/mol, XLogP of 10.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoranthen-3-yl-5-naphthalen-1-ylbenzo[g]isoquinoline is sourced from PubChem (CID 59183762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).