9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole

C46H28N4O — CID 162781291

IUPAC9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(ccc5c3oc3c(-n6c7ccccc7c7ccccc76)cccc35)C4)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)32-23-22-30-26-31-24-25-36-35-18-11-21-40(42(35)51-43(36)41(31)37(30)27-32)50-38-19-9-7-16-33(38)34-17-8-10-20-39(34)50/h1-25,27H,26H2
InChIKeyXSLKINXEVSFLHD-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.44
Rot. Bonds4

About 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole

9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole (PubChem CID 162781291) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole
PubChem CID162781291
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(ccc5c3oc3c(-n6c7ccccc7c7ccccc76)cccc35)C4)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)32-23-22-30-26-31-24-25-36-35-18-11-21-40(42(35)51-43(36)41(31)37(30)27-32)50-38-19-9-7-16-33(38)34-17-8-10-20-39(34)50/h1-25,27H,26H2
InChIKeyXSLKINXEVSFLHD-UHFFFAOYSA-N
XLogP11.44
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828
6-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-15-oxa-6-azaheptacyclo[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 177277019
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[6-dibenzofuran-1-yl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168721755
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]carbazole
CID 146664357
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171591825
2-[3-[3-[4-(6-carbazol-9-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 170371029
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882

Frequently Asked Questions

What is the IUPAC name of 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole?
The IUPAC name of 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole (CID 162781291) is 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole?
The canonical SMILES for 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3c(ccc5c3oc3c(-n6c7ccccc7c7ccccc76)cccc35)C4)n2)cc1.
What is the InChIKey of 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole?
The InChIKey is XSLKINXEVSFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-3-12-28(13-4-1)44-47-45(29-14-5-2-6-15-29)49-46(48-44)32-23-22-30-26-31-24-25-36-35-18-11-21-40(42(35)51-43(36)41(31)37(30)27-32)50-38-19-9-7-16-33(38)34-17-8-10-20-39(34)50/h1-25,27H,26H2.
What are the key properties of 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole?
9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole has a molecular weight of 652.76 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7H-fluoreno[4,3-b][1]benzofuran-1-yl]carbazole is sourced from PubChem (CID 162781291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).