8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine

C44H26N4O — CID 168785391

IUPAC8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc4oc5c(-c6cc7ccc8ccccc8c7c7ccccc67)cccc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-13-28(14-4-1)41-46-42(29-15-5-2-6-16-29)48-43(47-41)36-24-25-45-44-39(36)35-21-11-20-34(40(35)49-44)37-26-30-23-22-27-12-7-8-17-31(27)38(30)33-19-10-9-18-32(33)37/h1-26H
InChIKeyHNXBBOSLWZROPD-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.29
Rot. Bonds4

About 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine

8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 168785391) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID168785391
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc4oc5c(-c6cc7ccc8ccccc8c7c7ccccc67)cccc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-3-13-28(14-4-1)41-46-42(29-15-5-2-6-16-29)48-43(47-41)36-24-25-45-44-39(36)35-21-11-20-34(40(35)49-44)37-26-30-23-22-27-12-7-8-17-31(27)38(30)33-19-10-9-18-32(33)37/h1-26H
InChIKeyHNXBBOSLWZROPD-UHFFFAOYSA-N
XLogP11.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chrysen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168784952
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-7-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1,3,5,7,10,12,14,16(21),17,19-decaene
CID 164845460
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785351
5-(4-benzo[g]phenanthren-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785356
4-[4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166801951
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
12-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163962549
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785558
2-[5-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.018,23]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166845388
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394
4-(4-chrysen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785687

Frequently Asked Questions

What is the IUPAC name of 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 168785391) is 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc4oc5c(-c6cc7ccc8ccccc8c7c7ccccc67)cccc5c34)n2)cc1.
What is the InChIKey of 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HNXBBOSLWZROPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-3-13-28(14-4-1)41-46-42(29-15-5-2-6-16-29)48-43(47-41)36-24-25-45-44-39(36)35-21-11-20-34(40(35)49-44)37-26-30-23-22-27-12-7-8-17-31(27)38(30)33-19-10-9-18-32(33)37/h1-26H.
What are the key properties of 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine?
8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 626.72 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzo[c]phenanthren-5-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168785391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).