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

C45H30N4O — CID 140904941

IUPAC3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C45H30N4O/c1-4-12-32(13-5-1)43-46-44(33-14-6-2-7-15-33)48-45(47-43)34-22-27-38(28-23-34)50-37-25-20-31(21-26-37)35-24-29-42-40(30-35)39-18-10-11-19-41(39)49(42)36-16-8-3-9-17-36/h1-30H
InChIKeyJIYOAXYEICNKCY-UHFFFAOYSA-N
MW642.76 g/mol
LogP11.43
Rot. Bonds7

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

3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole (PubChem CID 140904941) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole
PubChem CID140904941
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C45H30N4O/c1-4-12-32(13-5-1)43-46-44(33-14-6-2-7-15-33)48-45(47-43)34-22-27-38(28-23-34)50-37-25-20-31(21-26-37)35-24-29-42-40(30-35)39-18-10-11-19-41(39)49(42)36-16-8-3-9-17-36/h1-30H
InChIKeyJIYOAXYEICNKCY-UHFFFAOYSA-N
XLogP11.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167031817
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole (CID 140904941) is 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)n2)cc1.
What is the InChIKey of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole?
The InChIKey is JIYOAXYEICNKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-12-32(13-5-1)43-46-44(33-14-6-2-7-15-33)48-45(47-43)34-22-27-38(28-23-34)50-37-25-20-31(21-26-37)35-24-29-42-40(30-35)39-18-10-11-19-41(39)49(42)36-16-8-3-9-17-36/h1-30H.
What are the key properties of 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole?
3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole has a molecular weight of 642.76 g/mol, XLogP of 11.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 140904941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).