3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole

C66H46N4O — CID 123172924

IUPAC3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7c(c6)-c6ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc6CCC7c6ccccc6)cc5c34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C66H46N4O/c1-5-16-42(17-6-1)51-34-30-49-38-45(47-31-36-60-57(40-47)54-24-13-14-26-59(54)70(60)50-22-11-4-12-23-50)28-33-52(49)56-39-46(29-35-53(51)56)48-32-37-61-58(41-48)63-55(25-15-27-62(63)71-61)66-68-64(43-18-7-2-8-19-43)67-65(69-66)44-20-9-3-10-21-44/h1-29,31-33,35-41,51,66H,30,34H2,(H,67,68,69)
InChIKeyNOTPFLSYCZIVEL-UHFFFAOYSA-N
MW911.12 g/mol
LogP16.26
Rot. Bonds7

About 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole

3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole (PubChem CID 123172924) has the molecular formula C66H46N4O and a molecular weight of 911.12 g/mol. Its IUPAC name is 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
PubChem CID123172924
Molecular FormulaC66H46N4O
Molecular Weight911.12 g/mol
Exact Mass910.37
IUPAC Name3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7c(c6)-c6ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc6CCC7c6ccccc6)cc5c34)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C66H46N4O/c1-5-16-42(17-6-1)51-34-30-49-38-45(47-31-36-60-57(40-47)54-24-13-14-26-59(54)70(60)50-22-11-4-12-23-50)28-33-52(49)56-39-46(29-35-53(51)56)48-32-37-61-58(41-48)63-55(25-15-27-62(63)71-61)66-68-64(43-18-7-2-8-19-43)67-65(69-66)44-20-9-3-10-21-44/h1-29,31-33,35-41,51,66H,30,34H2,(H,67,68,69)
InChIKeyNOTPFLSYCZIVEL-UHFFFAOYSA-N
XLogP16.26
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.12
LogP ≤ 516.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole with MolForge

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Related Compounds

14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 123469050
4-[6-(3,5-diphenylphenyl)-8-(8-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 123180440
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
4-[8-(8-dibenzofuran-2-yl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 123473072
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
3-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 166961453
9-[9-(2-carbazol-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961286
3-[8-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155077354
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397

Frequently Asked Questions

What is the IUPAC name of 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole?
The IUPAC name of 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole (CID 123172924) is 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole is c1ccc(C2=NC(c3cccc4oc5ccc(-c6ccc7c(c6)-c6ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc6CCC7c6ccccc6)cc5c34)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole?
The InChIKey is NOTPFLSYCZIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4O/c1-5-16-42(17-6-1)51-34-30-49-38-45(47-31-36-60-57(40-47)54-24-13-14-26-59(54)70(60)50-22-11-4-12-23-50)28-33-52(49)56-39-46(29-35-53(51)56)48-32-37-61-58(41-48)63-55(25-15-27-62(63)71-61)66-68-64(43-18-7-2-8-19-43)67-65(69-66)44-20-9-3-10-21-44/h1-29,31-33,35-41,51,66H,30,34H2,(H,67,68,69).
What are the key properties of 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole?
3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole has a molecular weight of 911.12 g/mol, XLogP of 16.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[14-[9-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)dibenzofuran-2-yl]-10-phenyl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]-9-phenylcarbazole is sourced from PubChem (CID 123172924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).