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

C50H32N6 — CID 121475615

IUPAC2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-15-33(16-5-1)48-52-49(34-17-6-2-7-18-34)54-50(53-48)35-29-30-51-42(31-35)40-23-14-26-45-47(40)41-22-11-13-25-44(41)56(45)37-27-28-39-38-21-10-12-24-43(38)55(46(39)32-37)36-19-8-3-9-20-36/h1-32H
InChIKeyGIJCAQAZLOGZOM-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

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

2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole (PubChem CID 121475615) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole
PubChem CID121475615
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)n2)cc1
InChIInChI=1S/C50H32N6/c1-4-15-33(16-5-1)48-52-49(34-17-6-2-7-18-34)54-50(53-48)35-29-30-51-42(31-35)40-23-14-26-45-47(40)41-22-11-13-25-44(41)56(45)37-27-28-39-38-21-10-12-24-43(38)55(46(39)32-37)36-19-8-3-9-20-36/h1-32H
InChIKeyGIJCAQAZLOGZOM-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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Related Compounds

2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 121306286
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 155232653
5-[3-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621946
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
1-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole;1-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 158026928
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 121306370
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
3-[9-[9-[2-carbazol-9-yl-4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazol-3-yl]-9-phenylcarbazole;4-[9-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158305349

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole (CID 121475615) is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc(-c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)n2)cc1.
What is the InChIKey of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole?
The InChIKey is GIJCAQAZLOGZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-15-33(16-5-1)48-52-49(34-17-6-2-7-18-34)54-50(53-48)35-29-30-51-42(31-35)40-23-14-26-45-47(40)41-22-11-13-25-44(41)56(45)37-27-28-39-38-21-10-12-24-43(38)55(46(39)32-37)36-19-8-3-9-20-36/h1-32H.
What are the key properties of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole?
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-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 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 121475615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).