9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C37H24N4O — CID 166917243

IUPAC9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC2=Cc3oc4ccccc4c3C(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)C2C=C1
InChIInChI=1S/C37H24N4O/c1-2-12-23(13-3-1)35-38-36(40-37(39-35)41-29-19-9-6-16-26(29)27-17-7-10-20-30(27)41)34-25-15-5-4-14-24(25)22-32-33(34)28-18-8-11-21-31(28)42-32/h1-22,25,34H
InChIKeyDCYGLNHJMBNRNE-UHFFFAOYSA-N
MW540.63 g/mol
LogP8.65
Rot. Bonds3

About 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 166917243) has the molecular formula C37H24N4O and a molecular weight of 540.63 g/mol. Its IUPAC name is 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID166917243
Molecular FormulaC37H24N4O
Molecular Weight540.63 g/mol
Exact Mass540.20
IUPAC Name9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESC1=CC2=Cc3oc4ccccc4c3C(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)C2C=C1
InChIInChI=1S/C37H24N4O/c1-2-12-23(13-3-1)35-38-36(40-37(39-35)41-29-19-9-6-16-26(29)27-17-7-10-20-30(27)41)34-25-15-5-4-14-24(25)22-32-33(34)28-18-8-11-21-31(28)42-32/h1-22,25,34H
InChIKeyDCYGLNHJMBNRNE-UHFFFAOYSA-N
XLogP8.65
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-cyclopenta-2,4-dien-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170263459
9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-dibenzofuran-2-ylcarbazole
CID 163775601
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-4,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848562
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
CID 129229746
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704

Frequently Asked Questions

What is the IUPAC name of 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 166917243) is 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is C1=CC2=Cc3oc4ccccc4c3C(c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccccc54)n3)C2C=C1.
What is the InChIKey of 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is DCYGLNHJMBNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4O/c1-2-12-23(13-3-1)35-38-36(40-37(39-35)41-29-19-9-6-16-26(29)27-17-7-10-20-30(27)41)34-25-15-5-4-14-24(25)22-32-33(34)28-18-8-11-21-31(28)42-32/h1-22,25,34H.
What are the key properties of 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 540.63 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(10a,11-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166917243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).