3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole

C50H32N6 — CID 58511272

IUPAC3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)nc3)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-14-33(15-5-1)48-52-49(34-16-6-2-7-17-34)54-50(53-48)37-26-29-47(51-32-37)56-44-23-13-10-20-39(44)41-27-24-36(31-46(41)56)35-25-28-45-42(30-35)40-21-11-12-22-43(40)55(45)38-18-8-3-9-19-38/h1-32H
InChIKeyRTLSTYRYNDYZGK-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 58511272) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID58511272
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)nc3)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-14-33(15-5-1)48-52-49(34-16-6-2-7-17-34)54-50(53-48)37-26-29-47(51-32-37)56-44-23-13-10-20-39(44)41-27-24-36(31-46(41)56)35-25-28-45-42(30-35)40-21-11-12-22-43(40)55(45)38-18-8-3-9-19-38/h1-32H
InChIKeyRTLSTYRYNDYZGK-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole (CID 58511272) is 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)nc3)n2)cc1.
What is the InChIKey of 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is RTLSTYRYNDYZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-14-33(15-5-1)48-52-49(34-16-6-2-7-17-34)54-50(53-48)37-26-29-47(51-32-37)56-44-23-13-10-20-39(44)41-27-24-36(31-46(41)56)35-25-28-45-42(30-35)40-21-11-12-22-43(40)55(45)38-18-8-3-9-19-38/h1-32H.
What are the key properties of 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 58511272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).