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

C75H48N6O — CID 155077354

IUPAC3-[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
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8n9-c8ccccc8)c7c6c5)ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C75H48N6O/c1-5-18-47(19-6-1)73-76-74(48-20-7-2-8-21-48)78-75(77-73)81-65-30-16-14-27-58(65)60-43-50(34-39-69(60)81)52-36-41-70-63(45-52)72-56(28-17-31-71(72)82-70)53-35-40-68-62(46-53)61-44-51(33-38-67(61)80(68)55-24-11-4-12-25-55)49-32-37-66-59(42-49)57-26-13-15-29-64(57)79(66)54-22-9-3-10-23-54/h1-46,73H,(H,76,77,78)
InChIKeyZBHSUBGZHWAMDR-UHFFFAOYSA-N
MW1049.25 g/mol
LogP18.84
Rot. Bonds7

About 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

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 (PubChem CID 155077354) has the molecular formula C75H48N6O and a molecular weight of 1049.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID155077354
Molecular FormulaC75H48N6O
Molecular Weight1049.25 g/mol
Exact Mass1048.39
IUPAC Name3-[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
SMILESc1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8n9-c8ccccc8)c7c6c5)ccc43)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C75H48N6O/c1-5-18-47(19-6-1)73-76-74(48-20-7-2-8-21-48)78-75(77-73)81-65-30-16-14-27-58(65)60-43-50(34-39-69(60)81)52-36-41-70-63(45-52)72-56(28-17-31-71(72)82-70)53-35-40-68-62(46-53)61-44-51(33-38-67(61)80(68)55-24-11-4-12-25-55)49-32-37-66-59(42-49)57-26-13-15-29-64(57)79(66)54-22-9-3-10-23-54/h1-46,73H,(H,76,77,78)
InChIKeyZBHSUBGZHWAMDR-UHFFFAOYSA-N
XLogP18.84
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.25
LogP ≤ 518.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
5-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-[9-(5-phenylpyrido[3,2-b]indol-8-yl)dibenzofuran-2-yl]pyrido[4,3-b]indole
CID 137218574
9-[6-(7-dibenzofuran-1-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 166961266
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]-4-phenylcarbazole
CID 166961274
9-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
3-[4-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166914794
3-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-9-phenylcarbazole
CID 154618864
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
7-phenyl-5-[6-phenyl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]indolo[2,3-b]carbazole
CID 146337552

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8ccc9c(c8)c8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc8n9-c8ccccc8)c7c6c5)ccc43)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 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?
The InChIKey is ZBHSUBGZHWAMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N6O/c1-5-18-47(19-6-1)73-76-74(48-20-7-2-8-21-48)78-75(77-73)81-65-30-16-14-27-58(65)60-43-50(34-39-69(60)81)52-36-41-70-63(45-52)72-56(28-17-31-71(72)82-70)53-35-40-68-62(46-53)61-44-51(33-38-67(61)80(68)55-24-11-4-12-25-55)49-32-37-66-59(42-49)57-26-13-15-29-64(57)79(66)54-22-9-3-10-23-54/h1-46,73H,(H,76,77,78).
What are the key properties of 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?
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 has a molecular weight of 1049.25 g/mol, XLogP of 18.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155077354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).