3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole

C33H22N4O2 — CID 102308208

IUPAC3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(Oc2nc(Oc3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C33H22N4O2/c1-4-12-24(13-5-1)37-29-19-11-10-18-27(29)28-22-23(20-21-30(28)37)31-34-32(38-25-14-6-2-7-15-25)36-33(35-31)39-26-16-8-3-9-17-26/h1-22H
InChIKeyTYGWINLVLIQARY-UHFFFAOYSA-N
MW506.57 g/mol
LogP8.22
Rot. Bonds6

About 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole

3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 102308208) has the molecular formula C33H22N4O2 and a molecular weight of 506.57 g/mol. Its IUPAC name is 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID102308208
Molecular FormulaC33H22N4O2
Molecular Weight506.57 g/mol
Exact Mass506.17
IUPAC Name3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(Oc2nc(Oc3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C33H22N4O2/c1-4-12-24(13-5-1)37-29-19-11-10-18-27(29)28-22-23(20-21-30(28)37)31-34-32(38-25-14-6-2-7-15-25)36-33(35-31)39-26-16-8-3-9-17-26/h1-22H
InChIKeyTYGWINLVLIQARY-UHFFFAOYSA-N
XLogP8.22
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-Ethyl-3-(1-(4-methoxyphenyl)-4,5-bis(4-(4-methylpiperazin-1-yl)phenyl)-1H-imidazol-2-yl)-9H-carbazole
CID 137628645
3-(4-Chloro-6-phenoxy-1,3,5-triazin-2-yl)-1-phenylindole
CID 285449
4-[2-(2-Methoxyphenyl)ethynyl]-9-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[2,3-b]indole
CID 72195607
2-[2-[4-[2-(9-Ethylcarbazol-3-yl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]imidazol-1-yl]phenoxy]ethoxy]ethanol
CID 168290514
4-(4-Methoxyphenyl)-6-(9-methyl-9H-carbazol-3-yl)-pyrimidin-2-amine (5b)
CID 78210049
6-[4-(4-Indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl]indolo[1,2-c]quinazoline
CID 45276791
3-[4,5-Bis(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]-9-ethylcarbazole
CID 137656488
4-[1-(4-Methoxyphenyl)-4,5-diphenylimidazol-2-yl]-7-methyltetrazolo[1,5-a]quinoline
CID 145965584
3-[4,5-Bis[4-(4-methylpiperazin-1-yl)phenyl]-1-(4-phenylmethoxyphenyl)imidazol-2-yl]-9-ethylcarbazole
CID 168273174
3-[4-[2-(9-Ethylcarbazol-3-yl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]imidazol-1-yl]phenoxy]propan-1-ol
CID 168273743
3-[4-[2-(9-Ethylcarbazol-3-yl)-4,5-bis[4-(4-methylpiperazin-1-yl)phenyl]imidazol-1-yl]phenoxy]propyl acetate
CID 168277090
4-[2-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 168341578

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 102308208) is 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(Oc2nc(Oc3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is TYGWINLVLIQARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O2/c1-4-12-24(13-5-1)37-29-19-11-10-18-27(29)28-22-23(20-21-30(28)37)31-34-32(38-25-14-6-2-7-15-25)36-33(35-31)39-26-16-8-3-9-17-26/h1-22H.
What are the key properties of 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole?
3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 506.57 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenoxy-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 102308208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).