5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole

C56H32N6O2 — CID 153459676

IUPAC5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cnc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C56H32N6O2/c1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)42-31-35(61-43-23-11-7-21-40(43)49-45(61)29-27-38-36-19-9-13-25-47(36)63-51(38)49)32-57-56(42)62-44-24-12-8-22-41(44)50-46(62)30-28-39-37-20-10-14-26-48(37)64-52(39)50/h1-32H
InChIKeySDTCIMAATXNMID-UHFFFAOYSA-N
MW820.91 g/mol
LogP14.26
Rot. Bonds5

About 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole

5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 153459676) has the molecular formula C56H32N6O2 and a molecular weight of 820.91 g/mol. Its IUPAC name is 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID153459676
Molecular FormulaC56H32N6O2
Molecular Weight820.91 g/mol
Exact Mass820.26
IUPAC Name5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cnc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C56H32N6O2/c1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)42-31-35(61-43-23-11-7-21-40(43)49-45(61)29-27-38-36-19-9-13-25-47(36)63-51(38)49)32-57-56(42)62-44-24-12-8-22-41(44)50-46(62)30-28-39-37-20-10-14-26-48(37)64-52(39)50/h1-32H
InChIKeySDTCIMAATXNMID-UHFFFAOYSA-N
XLogP14.26
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.91
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 162500626
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 144644730
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 160969455
24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 146280481
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 165103461
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153459959
12-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 118375888
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134489560
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163505765
5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 161186083

Frequently Asked Questions

What is the IUPAC name of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole (CID 153459676) is 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cnc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.
What is the InChIKey of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is SDTCIMAATXNMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6O2/c1-3-15-33(16-4-1)53-58-54(34-17-5-2-6-18-34)60-55(59-53)42-31-35(61-43-23-11-7-21-40(43)49-45(61)29-27-38-36-19-9-13-25-47(36)63-51(38)49)32-57-56(42)62-44-24-12-8-22-41(44)50-46(62)30-28-39-37-20-10-14-26-48(37)64-52(39)50/h1-32H.
What are the key properties of 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole?
5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 820.91 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 153459676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).