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

C46H28N4O2 — CID 155158595

IUPAC5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H28N4O2/c1-27-26-36(50-34-21-11-8-19-32(34)40-35(50)25-24-31-30-18-9-12-22-37(30)51-42(31)40)43-41(33-20-10-13-23-38(33)52-43)39(27)46-48-44(28-14-4-2-5-15-28)47-45(49-46)29-16-6-3-7-17-29/h2-26H,1H3
InChIKeyGZQCZCQGRUFUGX-UHFFFAOYSA-N
MW668.76 g/mol
LogP12.08
Rot. Bonds4

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

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 155158595) has the molecular formula C46H28N4O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID155158595
Molecular FormulaC46H28N4O2
Molecular Weight668.76 g/mol
Exact Mass668.22
IUPAC Name5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole
SMILESCc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C46H28N4O2/c1-27-26-36(50-34-21-11-8-19-32(34)40-35(50)25-24-31-30-18-9-12-22-37(30)51-42(31)40)43-41(33-20-10-13-23-38(33)52-43)39(27)46-48-44(28-14-4-2-5-15-28)47-45(49-46)29-16-6-3-7-17-29/h2-26H,1H3
InChIKeyGZQCZCQGRUFUGX-UHFFFAOYSA-N
XLogP12.08
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155160141
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 155158601
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
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400394
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155158591
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
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-([1]benzofuro[2,3-a]carbazol-12-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155158759
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160135
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole
CID 154603075
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2-carbonitrile
CID 155158821

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole (CID 155158595) is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole is Cc1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c2oc3ccccc3c2c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GZQCZCQGRUFUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O2/c1-27-26-36(50-34-21-11-8-19-32(34)40-35(50)25-24-31-30-18-9-12-22-37(30)51-42(31)40)43-41(33-20-10-13-23-38(33)52-43)39(27)46-48-44(28-14-4-2-5-15-28)47-45(49-46)29-16-6-3-7-17-29/h2-26H,1H3.
What are the key properties of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole?
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 668.76 g/mol, XLogP of 12.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155158595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).