3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione

C47H26N4O4 — CID 164765324

IUPAC3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione
SMILESO=c1c2ccc(-n3c4ccccc4c4ccccc43)cc2oc2cc3c(=O)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4oc3cc12
InChIInChI=1S/C47H26N4O4/c52-42-32-23-22-29(51-37-20-9-7-16-30(37)31-17-8-10-21-38(31)51)24-39(32)54-40-25-36-41(26-35(40)42)55-44-33(43(36)53)18-11-19-34(44)47-49-45(27-12-3-1-4-13-27)48-46(50-47)28-14-5-2-6-15-28/h1-26H
InChIKeyYXYOCGCHGGGCQH-UHFFFAOYSA-N
MW710.75 g/mol
LogP10.49
Rot. Bonds4

About 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione

3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione (PubChem CID 164765324) has the molecular formula C47H26N4O4 and a molecular weight of 710.75 g/mol. Its IUPAC name is 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione.

Molecular Properties

Compound Name3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione
PubChem CID164765324
Molecular FormulaC47H26N4O4
Molecular Weight710.75 g/mol
Exact Mass710.20
IUPAC Name3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione
SMILESO=c1c2ccc(-n3c4ccccc4c4ccccc43)cc2oc2cc3c(=O)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4oc3cc12
InChIInChI=1S/C47H26N4O4/c52-42-32-23-22-29(51-37-20-9-7-16-30(37)31-17-8-10-21-38(31)51)24-39(32)54-40-25-36-41(26-35(40)42)55-44-33(43(36)53)18-11-19-34(44)47-49-45(27-12-3-1-4-13-27)48-46(50-47)28-14-5-2-6-15-28/h1-26H
InChIKeyYXYOCGCHGGGCQH-UHFFFAOYSA-N
XLogP10.49
TPSA104.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.75
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 169059257
5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one
CID 146176130
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 162781295
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 163452922
CID 174101121
CID 174101121
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole
CID 167549147
4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163508167
3-carbazol-9-yl-9-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147108476
11-(3-phenylphenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 163883383
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-1-phenylcarbazole
CID 154624614

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione?
The IUPAC name of 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione (CID 164765324) is 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione.
What is the SMILES notation for 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione?
The canonical SMILES for 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione is O=c1c2ccc(-n3c4ccccc4c4ccccc43)cc2oc2cc3c(=O)c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4oc3cc12.
What is the InChIKey of 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione?
The InChIKey is YXYOCGCHGGGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O4/c52-42-32-23-22-29(51-37-20-9-7-16-30(37)31-17-8-10-21-38(31)51)24-39(32)54-40-25-36-41(26-35(40)42)55-44-33(43(36)53)18-11-19-34(44)47-49-45(27-12-3-1-4-13-27)48-46(50-47)28-14-5-2-6-15-28/h1-26H.
What are the key properties of 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione?
3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione has a molecular weight of 710.75 g/mol, XLogP of 10.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione is sourced from PubChem (CID 164765324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).