5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline

C39H25N — CID 59183905

IUPAC5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline
SMILESC1=Cc2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ncccc45)c4c3c2C(=CC4)C1
InChIInChI=1S/C39H25N/c1-2-12-28-24(8-1)9-6-15-29(28)38-31-14-4-3-13-30(31)37(34-16-7-23-40-39(34)38)33-22-20-27-18-17-25-10-5-11-26-19-21-32(33)36(27)35(25)26/h1-10,12-20,22-23H,11,21H2
InChIKeyCOLGXUQJBMMSJT-UHFFFAOYSA-N
MW507.64 g/mol
LogP10.38
Rot. Bonds2

About 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline

5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline (PubChem CID 59183905) has the molecular formula C39H25N and a molecular weight of 507.64 g/mol. Its IUPAC name is 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline.

Molecular Properties

Compound Name5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline
PubChem CID59183905
Molecular FormulaC39H25N
Molecular Weight507.64 g/mol
Exact Mass507.20
IUPAC Name5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline
SMILESC1=Cc2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ncccc45)c4c3c2C(=CC4)C1
InChIInChI=1S/C39H25N/c1-2-12-28-24(8-1)9-6-15-29(28)38-31-14-4-3-13-30(31)37(34-16-7-23-40-39(34)38)33-22-20-27-18-17-25-10-5-11-26-19-21-32(33)36(27)35(25)26/h1-10,12-20,22-23H,11,21H2
InChIKeyCOLGXUQJBMMSJT-UHFFFAOYSA-N
XLogP10.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[10-(8,10-dihydropyren-1-yl)anthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 135252317
3-[10-(8,10-dihydropyren-1-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 134487753
12-[4-[4-(8,10-dihydropyren-1-yl)naphthalen-1-yl]phenyl]-10,10-dimethyl-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(4-pyridin-4-ylnaphthalen-1-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene;10,10-dimethyl-12-[4-(4-pyrimidin-2-ylnaphthalen-1-yl)phenyl]-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 160867192
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403
10-naphthalen-1-yl-5-[6-(10-naphthalen-1-ylbenzo[g]quinolin-5-yl)naphthalen-2-yl]benzo[g]quinoline
CID 59184004
8-propan-2-yl-1,9-dihydropyrene
CID 140739340
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
8-[7-(8,10-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]-1,9-dihydropyrene
CID 123242864
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508

Frequently Asked Questions

What is the IUPAC name of 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline?
The IUPAC name of 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline (CID 59183905) is 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline.
What is the SMILES notation for 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline?
The canonical SMILES for 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline is C1=Cc2ccc3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ncccc45)c4c3c2C(=CC4)C1.
What is the InChIKey of 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline?
The InChIKey is COLGXUQJBMMSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N/c1-2-12-28-24(8-1)9-6-15-29(28)38-31-14-4-3-13-30(31)37(34-16-7-23-40-39(34)38)33-22-20-27-18-17-25-10-5-11-26-19-21-32(33)36(27)35(25)26/h1-10,12-20,22-23H,11,21H2.
What are the key properties of 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline?
5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline has a molecular weight of 507.64 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,10-dihydropyren-1-yl)-10-naphthalen-1-ylbenzo[g]quinoline is sourced from PubChem (CID 59183905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).