5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole

C59H37N5O — CID 146395931

IUPAC5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6oc7cc(C8=NC(c9ccc%10ccccc%10c9)=NC(c9ccc%10ccccc%10c9)N8)ccc7c56)c4cc32)cc1
InChIInChI=1S/C59H37N5O/c1-2-17-43(18-3-1)63-49-21-10-8-19-44(49)47-34-48-45-20-9-11-22-50(45)64(53(48)35-52(47)63)51-23-12-24-54-56(51)46-30-29-42(33-55(46)65-54)59-61-57(40-27-25-36-13-4-6-15-38(36)31-40)60-58(62-59)41-28-26-37-14-5-7-16-39(37)32-41/h1-35,57H,(H,60,61,62)
InChIKeyCJXUAJGONLYCMN-UHFFFAOYSA-N
MW831.98 g/mol
LogP14.58
Rot. Bonds5

About 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole

5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 146395931) has the molecular formula C59H37N5O and a molecular weight of 831.98 g/mol. Its IUPAC name is 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID146395931
Molecular FormulaC59H37N5O
Molecular Weight831.98 g/mol
Exact Mass831.30
IUPAC Name5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6oc7cc(C8=NC(c9ccc%10ccccc%10c9)=NC(c9ccc%10ccccc%10c9)N8)ccc7c56)c4cc32)cc1
InChIInChI=1S/C59H37N5O/c1-2-17-43(18-3-1)63-49-21-10-8-19-44(49)47-34-48-45-20-9-11-22-50(45)64(53(48)35-52(47)63)51-23-12-24-54-56(51)46-30-29-42(33-55(46)65-54)59-61-57(40-27-25-36-13-4-6-15-38(36)31-40)60-58(62-59)41-28-26-37-14-5-7-16-39(37)32-41/h1-35,57H,(H,60,61,62)
InChIKeyCJXUAJGONLYCMN-UHFFFAOYSA-N
XLogP14.58
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.98
LogP ≤ 514.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

5-[3-[4-(3-phenylphenyl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699128
5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167042967
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166700234
2-[2-dibenzofuran-3-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164975374
5-[2-(2-naphthalen-2-yl-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166700313
5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 166699900
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
5-[2-[2-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699531
5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699320
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699587

Frequently Asked Questions

What is the IUPAC name of 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole (CID 146395931) is 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6oc7cc(C8=NC(c9ccc%10ccccc%10c9)=NC(c9ccc%10ccccc%10c9)N8)ccc7c56)c4cc32)cc1.
What is the InChIKey of 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is CJXUAJGONLYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O/c1-2-17-43(18-3-1)63-49-21-10-8-19-44(49)47-34-48-45-20-9-11-22-50(45)64(53(48)35-52(47)63)51-23-12-24-54-56(51)46-30-29-42(33-55(46)65-54)59-61-57(40-27-25-36-13-4-6-15-38(36)31-40)60-58(62-59)41-28-26-37-14-5-7-16-39(37)32-41/h1-35,57H,(H,60,61,62).
What are the key properties of 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole?
5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 831.98 g/mol, XLogP of 14.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 146395931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).