5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole

C53H30N4O2 — CID 155382790

IUPAC5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C53H30N4O2/c1-2-12-32(13-3-1)51-54-52(39-19-11-23-46-48(39)37-17-7-9-22-45(37)58-46)56-53(55-51)40-20-10-18-38-49-41-30-35(26-24-31(41)25-27-47(49)59-50(38)40)57-43-21-8-6-16-36(43)42-28-33-14-4-5-15-34(33)29-44(42)57/h1-30H
InChIKeyHBHIDDOBHUYMDR-UHFFFAOYSA-N
MW754.85 g/mol
LogP14.07
Rot. Bonds4

About 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole

5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 155382790) has the molecular formula C53H30N4O2 and a molecular weight of 754.85 g/mol. Its IUPAC name is 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
PubChem CID155382790
Molecular FormulaC53H30N4O2
Molecular Weight754.85 g/mol
Exact Mass754.24
IUPAC Name5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C53H30N4O2/c1-2-12-32(13-3-1)51-54-52(39-19-11-23-46-48(39)37-17-7-9-22-45(37)58-46)56-53(55-51)40-20-10-18-38-49-41-30-35(26-24-31(41)25-27-47(49)59-50(38)40)57-43-21-8-6-16-36(43)42-28-33-14-4-5-15-34(33)29-44(42)57/h1-30H
InChIKeyHBHIDDOBHUYMDR-UHFFFAOYSA-N
XLogP14.07
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

12-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155382795
5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 163878525
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
12-[8-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155382762
12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155382643
12-[8-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-10-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155042465
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 168769949
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 162781295
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 155382790) is 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3ccc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?
The InChIKey is HBHIDDOBHUYMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N4O2/c1-2-12-32(13-3-1)51-54-52(39-19-11-23-46-48(39)37-17-7-9-22-45(37)58-46)56-53(55-51)40-20-10-18-38-49-41-30-35(26-24-31(41)25-27-47(49)59-50(38)40)57-43-21-8-6-16-36(43)42-28-33-14-4-5-15-34(33)29-44(42)57/h1-30H.
What are the key properties of 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole?
5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 754.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155382790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).