7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole

C145H86N12O4 — CID 167566631

IUPAC7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c6ccccc6c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7c8ccccc8ccc76)c5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C49H28N4O2.C49H30N4O.C47H28N4O/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)39-27-38-35-22-13-24-41(46(35)55-45(38)34-21-8-7-18-31(34)39)53-40-23-11-9-19-32(40)36-26-37-33-20-10-12-25-43(33)54-44(37)28-42(36)53;1-4-15-31(16-5-1)34-27-28-37-36-22-12-13-25-42(36)53(44(37)29-34)43-26-14-24-39-40-30-41(35-21-10-11-23-38(35)45(40)54-46(39)43)49-51-47(32-17-6-2-7-18-32)50-48(52-49)33-19-8-3-9-20-33;1-3-15-30(16-4-1)45-48-46(31-17-5-2-6-18-31)50-47(49-45)38-28-37-35-23-13-25-41(44(35)52-43(37)34-21-10-9-20-33(34)38)51-39-24-12-11-22-36(39)42-32-19-8-7-14-29(32)26-27-40(42)51/h1-28H;1-30H;1-28H
InChIKeyFJFJJFJCGHULKK-UHFFFAOYSA-N
MW2060.36 g/mol
LogP37.79
Rot. Bonds13

About 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole

7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole (PubChem CID 167566631) has the molecular formula C145H86N12O4 and a molecular weight of 2060.36 g/mol. Its IUPAC name is 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole
PubChem CID167566631
Molecular FormulaC145H86N12O4
Molecular Weight2060.36 g/mol
Exact Mass2058.69
IUPAC Name7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c6ccccc6c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7c8ccccc8ccc76)c5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C49H28N4O2.C49H30N4O.C47H28N4O/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)39-27-38-35-22-13-24-41(46(35)55-45(38)34-21-8-7-18-31(34)39)53-40-23-11-9-19-32(40)36-26-37-33-20-10-12-25-43(33)54-44(37)28-42(36)53;1-4-15-31(16-5-1)34-27-28-37-36-22-12-13-25-42(36)53(44(37)29-34)43-26-14-24-39-40-30-41(35-21-10-11-23-38(35)45(40)54-46(39)43)49-51-47(32-17-6-2-7-18-32)50-48(52-49)33-19-8-3-9-20-33;1-3-15-30(16-4-1)45-48-46(31-17-5-2-6-18-31)50-47(49-45)38-28-37-35-23-13-25-41(44(35)52-43(37)34-21-10-9-20-33(34)38)51-39-24-12-11-22-36(39)42-32-19-8-7-14-29(32)26-27-40(42)51/h1-28H;1-30H;1-28H
InChIKeyFJFJJFJCGHULKK-UHFFFAOYSA-N
XLogP37.79
TPSA183.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.36
LogP ≤ 537.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole?
The IUPAC name of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole (CID 167566631) is 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole.
What is the SMILES notation for 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole?
The canonical SMILES for 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4c6ccccc6c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc54)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7c8ccccc8ccc76)c5oc4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)c5oc4c4ccccc34)n2)cc1.
What is the InChIKey of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole?
The InChIKey is FJFJJFJCGHULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4O2.C49H30N4O.C47H28N4O/c1-3-14-29(15-4-1)47-50-48(30-16-5-2-6-17-30)52-49(51-47)39-27-38-35-22-13-24-41(46(35)55-45(38)34-21-8-7-18-31(34)39)53-40-23-11-9-19-32(40)36-26-37-33-20-10-12-25-43(33)54-44(37)28-42(36)53;1-4-15-31(16-5-1)34-27-28-37-36-22-12-13-25-42(36)53(44(37)29-34)43-26-14-24-39-40-30-41(35-21-10-11-23-38(35)45(40)54-46(39)43)49-51-47(32-17-6-2-7-18-32)50-48(52-49)33-19-8-3-9-20-33;1-3-15-30(16-4-1)45-48-46(31-17-5-2-6-18-31)50-47(49-45)38-28-37-35-23-13-25-41(44(35)52-43(37)34-21-10-9-20-33(34)38)51-39-24-12-11-22-36(39)42-32-19-8-7-14-29(32)26-27-40(42)51/h1-28H;1-30H;1-28H.
What are the key properties of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole?
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole has a molecular weight of 2060.36 g/mol, XLogP of 37.79, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole is sourced from PubChem (CID 167566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).