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

C47H30N4O — CID 166915890

IUPAC5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc4oc5c6ccccc6ccc5c4c3)N=C(c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)N2)cc1
InChIInChI=1S/C47H30N4O/c1-2-12-30(13-3-1)45-48-46(50-47(49-45)34-22-24-43-40(27-34)38-23-21-29-11-6-7-18-36(29)44(38)52-43)33-16-10-17-35(25-33)51-41-20-9-8-19-37(41)39-26-31-14-4-5-15-32(31)28-42(39)51/h1-28,47H,(H,48,49,50)
InChIKeyMUNIDIGNEWZDQX-UHFFFAOYSA-N
MW666.78 g/mol
LogP11.48
Rot. Bonds4

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

5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (PubChem CID 166915890) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
PubChem CID166915890
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
SMILESc1ccc(C2=NC(c3ccc4oc5c6ccccc6ccc5c4c3)N=C(c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)N2)cc1
InChIInChI=1S/C47H30N4O/c1-2-12-30(13-3-1)45-48-46(50-47(49-45)34-22-24-43-40(27-34)38-23-21-29-11-6-7-18-36(29)44(38)52-43)33-16-10-17-35(25-33)51-41-20-9-8-19-37(41)39-26-31-14-4-5-15-32(31)28-42(39)51/h1-28,47H,(H,48,49,50)
InChIKeyMUNIDIGNEWZDQX-UHFFFAOYSA-N
XLogP11.48
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 511.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole
CID 146664773
10-[2-(3-carbazol-9-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]triphenylene-2-carbonitrile
CID 139356615
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 163570701
9-[7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961353
5-[2-dibenzofuran-1-yl-4-[2-phenyl-6-(2-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155474982
5-[3-(2-dibenzothiophen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155037887
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
9-naphthalen-2-yl-3-naphtho[1,2-b][1]benzofuran-8-ylcarbazole
CID 118919642
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
12-[3-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163536905
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole (CID 166915890) is 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is c1ccc(C2=NC(c3ccc4oc5c6ccccc6ccc5c4c3)N=C(c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)N2)cc1.
What is the InChIKey of 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
The InChIKey is MUNIDIGNEWZDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-2-12-30(13-3-1)45-48-46(50-47(49-45)34-22-24-43-40(27-34)38-23-21-29-11-6-7-18-36(29)44(38)52-43)33-16-10-17-35(25-33)51-41-20-9-8-19-37(41)39-26-31-14-4-5-15-32(31)28-42(39)51/h1-28,47H,(H,48,49,50).
What are the key properties of 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole?
5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole has a molecular weight of 666.78 g/mol, XLogP of 11.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-naphtho[1,2-b][1]benzofuran-8-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 166915890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).