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

C45H27N5O — CID 166961356

IUPAC9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5cccc(-n6c7ccccc7c7ccccc76)c5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-2-14-28(15-3-1)43-46-44(48-45(47-43)50-36-23-10-6-18-31(36)32-19-7-11-24-37(32)50)33-20-12-26-39-41(33)42-38(25-13-27-40(42)51-39)49-34-21-8-4-16-29(34)30-17-5-9-22-35(30)49/h1-27H
InChIKeyQYADATMOWZGXRC-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.30
Rot. Bonds4

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

9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 166961356) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID166961356
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5cccc(-n6c7ccccc7c7ccccc76)c5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-2-14-28(15-3-1)43-46-44(48-45(47-43)50-36-23-10-6-18-31(36)32-19-7-11-24-37(32)50)33-20-12-26-39-41(33)42-38(25-13-27-40(42)51-39)49-34-21-8-4-16-29(34)30-17-5-9-22-35(30)49/h1-27H
InChIKeyQYADATMOWZGXRC-UHFFFAOYSA-N
XLogP11.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
9-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-1-yl]carbazole
CID 169010930
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 165166776
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
1-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 171591687
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011214
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 168770621
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 166961356) is 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cccc4oc5cccc(-n6c7ccccc7c7ccccc76)c5c34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QYADATMOWZGXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-2-14-28(15-3-1)43-46-44(48-45(47-43)50-36-23-10-6-18-31(36)32-19-7-11-24-37(32)50)33-20-12-26-39-41(33)42-38(25-13-27-40(42)51-39)49-34-21-8-4-16-29(34)30-17-5-9-22-35(30)49/h1-27H.
What are the key properties of 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 653.75 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166961356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).