13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]

C52H30N4O2 — CID 130327350

IUPAC13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C52H30N4O2/c1-2-15-31(16-3-1)49-53-50(37-21-14-28-45-46(37)36-20-7-12-26-43(36)57-45)55-51(54-49)56-42-25-11-6-19-34(42)35-29-30-41-48(47(35)56)58-44-27-13-10-24-40(44)52(41)38-22-8-4-17-32(38)33-18-5-9-23-39(33)52/h1-30H
InChIKeyNJCRRJQPTOCCQC-UHFFFAOYSA-N
MW742.84 g/mol
LogP12.67
Rot. Bonds3

About 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]

13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] (PubChem CID 130327350) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene].

Molecular Properties

Compound Name13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
PubChem CID130327350
Molecular FormulaC52H30N4O2
Molecular Weight742.84 g/mol
Exact Mass742.24
IUPAC Name13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C52H30N4O2/c1-2-15-31(16-3-1)49-53-50(37-21-14-28-45-46(37)36-20-7-12-26-43(36)57-45)55-51(54-49)56-42-25-11-6-19-34(42)35-29-30-41-48(47(35)56)58-44-27-13-10-24-40(44)52(41)38-22-8-4-17-32(38)33-18-5-9-23-39(33)52/h1-30H
InChIKeyNJCRRJQPTOCCQC-UHFFFAOYSA-N
XLogP12.67
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.84
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 130327359
16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]
CID 142509832
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 159462825
13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 158807810
2-dibenzofuran-1-yl-4-phenyl-6-spiro[fluoreno[2,3-b][1]benzofuran-7,9'-xanthene]-1-yl-1,3,5-triazine
CID 156559736
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169014332
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584

Frequently Asked Questions

What is the IUPAC name of 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
The IUPAC name of 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] (CID 130327350) is 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene].
What is the SMILES notation for 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
The canonical SMILES for 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
The InChIKey is NJCRRJQPTOCCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c1-2-15-31(16-3-1)49-53-50(37-21-14-28-45-46(37)36-20-7-12-26-43(36)57-45)55-51(54-49)56-42-25-11-6-19-34(42)35-29-30-41-48(47(35)56)58-44-27-13-10-24-40(44)52(41)38-22-8-4-17-32(38)33-18-5-9-23-39(33)52/h1-30H.
What are the key properties of 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] has a molecular weight of 742.84 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 130327350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).