5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole

C59H37N5O — CID 166700359

IUPAC5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
SMILESc1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3c(-n4c5ccccc5c5cc6ccccc6cc54)c4c5ccccc5oc4c4ccccc34)N2)cc1
InChIInChI=1S/C59H37N5O/c1-3-18-36(19-4-1)57-60-58(46-30-17-29-43-40-24-11-14-31-48(40)63(54(43)46)39-22-5-2-6-23-39)62-59(61-57)53-42-26-9-10-27-44(42)56-52(45-28-13-16-33-51(45)65-56)55(53)64-49-32-15-12-25-41(49)47-34-37-20-7-8-21-38(37)35-50(47)64/h1-35,57H,(H,60,61,62)
InChIKeyKGFJWVXYZIWCMP-UHFFFAOYSA-N
MW831.98 g/mol
LogP14.58
Rot. Bonds5

About 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole

5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole (PubChem CID 166700359) has the molecular formula C59H37N5O and a molecular weight of 831.98 g/mol. Its IUPAC name is 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
PubChem CID166700359
Molecular FormulaC59H37N5O
Molecular Weight831.98 g/mol
Exact Mass831.30
IUPAC Name5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
SMILESc1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3c(-n4c5ccccc5c5cc6ccccc6cc54)c4c5ccccc5oc4c4ccccc34)N2)cc1
InChIInChI=1S/C59H37N5O/c1-3-18-36(19-4-1)57-60-58(46-30-17-29-43-40-24-11-14-31-48(40)63(54(43)46)39-22-5-2-6-23-39)62-59(61-57)53-42-26-9-10-27-44(42)56-52(45-28-13-16-33-51(45)65-56)55(53)64-49-32-15-12-25-41(49)47-34-37-20-7-8-21-38(37)35-50(47)64/h1-35,57H,(H,60,61,62)
InChIKeyKGFJWVXYZIWCMP-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

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Related Compounds

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-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155430510
5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
1-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 165010591
9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)naphtho[2,3-b][1]benzofuran-4-yl]carbazole
CID 167032691
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699432
5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474715
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
5-[2-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347795
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167043225
5-[3-[2,4-bis(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167042967

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
The IUPAC name of 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole (CID 166700359) is 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole is c1ccc(C2N=C(c3cccc4c5ccccc5n(-c5ccccc5)c34)N=C(c3c(-n4c5ccccc5c5cc6ccccc6cc54)c4c5ccccc5oc4c4ccccc34)N2)cc1.
What is the InChIKey of 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
The InChIKey is KGFJWVXYZIWCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5O/c1-3-18-36(19-4-1)57-60-58(46-30-17-29-43-40-24-11-14-31-48(40)63(54(43)46)39-22-5-2-6-23-39)62-59(61-57)53-42-26-9-10-27-44(42)56-52(45-28-13-16-33-51(45)65-56)55(53)64-49-32-15-12-25-41(49)47-34-37-20-7-8-21-38(37)35-50(47)64/h1-35,57H,(H,60,61,62).
What are the key properties of 5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole?
5-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[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-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole is sourced from PubChem (CID 166700359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).