10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline

C44H24N4O2 — CID 174298468

IUPAC10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
SMILESc1ccc2c(c1)oc1cccc(-c3nc(-c4ccc5c(ccc6ccc7cnccc7c65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c12
InChIInChI=1S/C44H24N4O2/c1-3-11-35-31(7-1)40-33(9-5-13-37(40)49-35)43-46-42(47-44(48-43)34-10-6-14-38-41(34)32-8-2-4-12-36(32)50-38)27-19-20-29-26(23-27)17-15-25-16-18-28-24-45-22-21-30(28)39(25)29/h1-24H
InChIKeyLGLKQKCPHRRZQQ-UHFFFAOYSA-N
MW640.70 g/mol
LogP11.53
Rot. Bonds3

About 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline

10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline (PubChem CID 174298468) has the molecular formula C44H24N4O2 and a molecular weight of 640.70 g/mol. Its IUPAC name is 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline.

Molecular Properties

Compound Name10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
PubChem CID174298468
Molecular FormulaC44H24N4O2
Molecular Weight640.70 g/mol
Exact Mass640.19
IUPAC Name10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline
SMILESc1ccc2c(c1)oc1cccc(-c3nc(-c4ccc5c(ccc6ccc7cnccc7c65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c12
InChIInChI=1S/C44H24N4O2/c1-3-11-35-31(7-1)40-33(9-5-13-37(40)49-35)43-46-42(47-44(48-43)34-10-6-14-38-41(34)32-8-2-4-12-36(32)50-38)27-19-20-29-26(23-27)17-15-25-16-18-28-24-45-22-21-30(28)39(25)29/h1-24H
InChIKeyLGLKQKCPHRRZQQ-UHFFFAOYSA-N
XLogP11.53
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.70
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline with MolForge

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Related Compounds

6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
2-dibenzofuran-1-yl-4-(18-oxahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaen-6-yl)-6-phenyl-1,3,5-triazine
CID 164721880
5-(4-naphthalen-2-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785050
7-[4-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-h]isoquinoline
CID 174296972
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine
CID 162244193
2-chrysen-5-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 161400704
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 168785048
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507

Frequently Asked Questions

What is the IUPAC name of 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline?
The IUPAC name of 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline (CID 174298468) is 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline.
What is the SMILES notation for 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline?
The canonical SMILES for 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline is c1ccc2c(c1)oc1cccc(-c3nc(-c4ccc5c(ccc6ccc7cnccc7c65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c12.
What is the InChIKey of 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline?
The InChIKey is LGLKQKCPHRRZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2/c1-3-11-35-31(7-1)40-33(9-5-13-37(40)49-35)43-46-42(47-44(48-43)34-10-6-14-38-41(34)32-8-2-4-12-36(32)50-38)27-19-20-29-26(23-27)17-15-25-16-18-28-24-45-22-21-30(28)39(25)29/h1-24H.
What are the key properties of 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline?
10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline has a molecular weight of 640.70 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]naphtho[1,2-f]isoquinoline is sourced from PubChem (CID 174298468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).