8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole

C40H26N4O — CID 163419363

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1oc1c2ccc2c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C40H26N4O/c1-25-23-28(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)24-33-32-22-21-31-30-19-11-12-20-34(30)44(29-17-9-4-10-18-29)35(31)37(32)45-36(25)33/h2-24H,1H3
InChIKeyHHGRVOFEMJDLJI-UHFFFAOYSA-N
MW578.68 g/mol
LogP10.18
Rot. Bonds4

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 163419363) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID163419363
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1oc1c2ccc2c3ccccc3n(-c3ccccc3)c21
InChIInChI=1S/C40H26N4O/c1-25-23-28(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)24-33-32-22-21-31-30-19-11-12-20-34(30)44(29-17-9-4-10-18-29)35(31)37(32)45-36(25)33/h2-24H,1H3
InChIKeyHHGRVOFEMJDLJI-UHFFFAOYSA-N
XLogP10.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 163579261
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701765
12-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701826
10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene
CID 122524180
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163856123
12-phenyl-18-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701623
12-(4-phenylphenyl)-18-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701637
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-1-(9-phenylcarbazol-1-yl)-[1]benzofuro[2,3-a]carbazole
CID 171591603
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163611677

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 163419363) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole is Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1oc1c2ccc2c3ccccc3n(-c3ccccc3)c21.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is HHGRVOFEMJDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-25-23-28(40-42-38(26-13-5-2-6-14-26)41-39(43-40)27-15-7-3-8-16-27)24-33-32-22-21-31-30-19-11-12-20-34(30)44(29-17-9-4-10-18-29)35(31)37(32)45-36(25)33/h2-24H,1H3.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 578.68 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163419363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).