6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole

C41H24N4O — CID 174288215

IUPAC6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3cccc4c3ccc3c5cc[nH]c5ccc43)n2)cc1
InChIInChI=1S/C41H24N4O/c1-2-7-24(8-3-1)39-43-40(27-13-14-33-35-21-25-9-4-5-10-26(25)22-38(35)46-37(33)23-27)45-41(44-39)34-12-6-11-28-29-17-18-36-32(19-20-42-36)30(29)15-16-31(28)34/h1-23,42H
InChIKeyIQNHIKRKBCCBPJ-UHFFFAOYSA-N
MW588.67 g/mol
LogP10.71
Rot. Bonds3

About 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole

6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole (PubChem CID 174288215) has the molecular formula C41H24N4O and a molecular weight of 588.67 g/mol. Its IUPAC name is 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole.

Molecular Properties

Compound Name6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole
PubChem CID174288215
Molecular FormulaC41H24N4O
Molecular Weight588.67 g/mol
Exact Mass588.20
IUPAC Name6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3cccc4c3ccc3c5cc[nH]c5ccc43)n2)cc1
InChIInChI=1S/C41H24N4O/c1-2-7-24(8-3-1)39-43-40(27-13-14-33-35-21-25-9-4-5-10-26(25)22-38(35)46-37(33)23-27)45-41(44-39)34-12-6-11-28-29-17-18-36-32(19-20-42-36)30(29)15-16-31(28)34/h1-23,42H
InChIKeyIQNHIKRKBCCBPJ-UHFFFAOYSA-N
XLogP10.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 510.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163563632
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
2-(9-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316221
2-naphthalen-1-yl-4-(7-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176617044
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
2-naphthalen-1-yl-4-(5-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 146663712
2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-17-yl)-4,6-diphenyl-1,3,5-triazine
CID 169053287
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-naphthalen-2-yl-4-(4-naphtho[6,7-b][1]benzofuran-10-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 177119688
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole?
The IUPAC name of 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole (CID 174288215) is 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole.
What is the SMILES notation for 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole?
The canonical SMILES for 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole is c1ccc(-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)nc(-c3cccc4c3ccc3c5cc[nH]c5ccc43)n2)cc1.
What is the InChIKey of 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole?
The InChIKey is IQNHIKRKBCCBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N4O/c1-2-7-24(8-3-1)39-43-40(27-13-14-33-35-21-25-9-4-5-10-26(25)22-38(35)46-37(33)23-27)45-41(44-39)34-12-6-11-28-29-17-18-36-32(19-20-42-36)30(29)15-16-31(28)34/h1-23,42H.
What are the key properties of 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole?
6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole has a molecular weight of 588.67 g/mol, XLogP of 10.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1H-naphtho[2,1-e]indole is sourced from PubChem (CID 174288215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).