9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole

C33H20IN5O — CID 58609367

IUPAC9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole
SMILESIc1ccc(Oc2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C33H20IN5O/c34-21-17-19-22(20-18-21)40-33-36-31(38-27-13-5-1-9-23(27)24-10-2-6-14-28(24)38)35-32(37-33)39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39/h1-20H
InChIKeyFXULQIXZBYYYMI-UHFFFAOYSA-N
MW629.46 g/mol
LogP8.46
Rot. Bonds4

About 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole

9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole (PubChem CID 58609367) has the molecular formula C33H20IN5O and a molecular weight of 629.46 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole
PubChem CID58609367
Molecular FormulaC33H20IN5O
Molecular Weight629.46 g/mol
Exact Mass629.07
IUPAC Name9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole
SMILESIc1ccc(Oc2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C33H20IN5O/c34-21-17-19-22(20-18-21)40-33-36-31(38-27-13-5-1-9-23(27)24-10-2-6-14-28(24)38)35-32(37-33)39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39/h1-20H
InChIKeyFXULQIXZBYYYMI-UHFFFAOYSA-N
XLogP8.46
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.46
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
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
6-[4-(4-Methylphenoxy)phenyl]indolo[1,2-c]quinazoline
CID 71594670
6-(4-Methoxyphenyl)indolo[1,2-c]quinazoline
CID 102452205
10,14-Bis(4-methoxyphenyl)-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 132569874
9,9'-(6-Iodophenoxy-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609368
9,9'-(6-(4-Bromophenoxy)-1,3,5-triazine-2,4-diyl)bis(9h-carbazole)
CID 58609370
3-(4,6-Diphenoxy-1,3,5-triazin-2-yl)-9-phenyl-9h-carbazole
CID 102308208
3-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-[4-(2,2,2-trifluoroethoxy)phenyl]carbazole
CID 58511314
9-[3-(2,6-Diphenylpyrimidin-4-yl)phenyl]-2-[9-(4-ethoxyphenyl)carbazol-3-yl]-6-fluorocarbazole
CID 90085454

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole (CID 58609367) is 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole is Ic1ccc(Oc2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is FXULQIXZBYYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20IN5O/c34-21-17-19-22(20-18-21)40-33-36-31(38-27-13-5-1-9-23(27)24-10-2-6-14-28(24)38)35-32(37-33)39-29-15-7-3-11-25(29)26-12-4-8-16-30(26)39/h1-20H.
What are the key properties of 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole?
9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 629.46 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-(4-iodophenoxy)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 58609367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).