7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole

C49H28N4O2 — CID 164707430

IUPAC7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)ccc34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-3-13-29(14-4-1)47-50-48(30-15-5-2-6-16-30)52-49(51-47)39-25-31-17-7-8-18-33(31)45-36-24-23-32(26-43(36)55-46(39)45)53-40-21-11-9-19-34(40)37-27-38-35-20-10-12-22-42(35)54-44(38)28-41(37)53/h1-28H
InChIKeyMYBMWRQVTSXWJS-UHFFFAOYSA-N
MW704.79 g/mol
LogP12.92
Rot. Bonds4

About 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole

7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 164707430) has the molecular formula C49H28N4O2 and a molecular weight of 704.79 g/mol. Its IUPAC name is 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID164707430
Molecular FormulaC49H28N4O2
Molecular Weight704.79 g/mol
Exact Mass704.22
IUPAC Name7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)ccc34)n2)cc1
InChIInChI=1S/C49H28N4O2/c1-3-13-29(14-4-1)47-50-48(30-15-5-2-6-16-30)52-49(51-47)39-25-31-17-7-8-18-33(31)45-36-24-23-32(26-43(36)55-46(39)45)53-40-21-11-9-19-34(40)37-27-38-35-20-10-12-22-42(35)54-44(38)28-41(37)53/h1-28H
InChIKeyMYBMWRQVTSXWJS-UHFFFAOYSA-N
XLogP12.92
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 154968541
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-b][1]benzofuran-9-yl]carbazole
CID 154968542
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163846224
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
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,18-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118301187
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
12-[6-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 163818534
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
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

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole (CID 164707430) is 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)ccc34)n2)cc1.
What is the InChIKey of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MYBMWRQVTSXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4O2/c1-3-13-29(14-4-1)47-50-48(30-15-5-2-6-16-30)52-49(51-47)39-25-31-17-7-8-18-33(31)45-36-24-23-32(26-43(36)55-46(39)45)53-40-21-11-9-19-34(40)37-27-38-35-20-10-12-22-42(35)54-44(38)28-41(37)53/h1-28H.
What are the key properties of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole?
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 704.79 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 164707430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).