3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole

C50H32N6 — CID 58511180

IUPAC3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccncc6)cc54)cc3)n2)cc1
InChIInChI=1S/C50H32N6/c1-3-11-33(12-4-1)48-52-49(34-13-5-2-6-14-34)54-50(53-48)35-19-23-38(24-20-35)56-44-17-9-7-15-40(44)42-25-21-37(32-47(42)56)36-22-26-46-43(31-36)41-16-8-10-18-45(41)55(46)39-27-29-51-30-28-39/h1-32H
InChIKeyPCVGZOLVNUTDPM-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole (PubChem CID 58511180) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole
PubChem CID58511180
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccncc6)cc54)cc3)n2)cc1
InChIInChI=1S/C50H32N6/c1-3-11-33(12-4-1)48-52-49(34-13-5-2-6-14-34)54-50(53-48)35-19-23-38(24-20-35)56-44-17-9-7-15-40(44)42-25-21-37(32-47(42)56)36-22-26-46-43(31-36)41-16-8-10-18-45(41)55(46)39-27-29-51-30-28-39/h1-32H
InChIKeyPCVGZOLVNUTDPM-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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole?
The IUPAC name of 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole (CID 58511180) is 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole.
What is the SMILES notation for 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole?
The canonical SMILES for 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccncc6)cc54)cc3)n2)cc1.
What is the InChIKey of 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole?
The InChIKey is PCVGZOLVNUTDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-3-11-33(12-4-1)48-52-49(34-13-5-2-6-14-34)54-50(53-48)35-19-23-38(24-20-35)56-44-17-9-7-15-40(44)42-25-21-37(32-47(42)56)36-22-26-46-43(31-36)41-16-8-10-18-45(41)55(46)39-27-29-51-30-28-39/h1-32H.
What are the key properties of 3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole?
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole 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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-pyridin-4-ylcarbazole is sourced from PubChem (CID 58511180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).