9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole

C39H23N5O — CID 89433730

IUPAC9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ncnc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1
InChIInChI=1S/C39H23N5O/c1-5-13-32-26(9-1)27-10-2-6-14-33(27)43(32)25-18-20-37-31(22-25)30-21-24(17-19-36(30)45-37)38-40-23-41-39(42-38)44-34-15-7-3-11-28(34)29-12-4-8-16-35(29)44/h1-23H
InChIKeyLFWRVJHHYMPMKA-UHFFFAOYSA-N
MW577.65 g/mol
LogP9.63
Rot. Bonds3

About 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole

9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 89433730) has the molecular formula C39H23N5O and a molecular weight of 577.65 g/mol. Its IUPAC name is 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID89433730
Molecular FormulaC39H23N5O
Molecular Weight577.65 g/mol
Exact Mass577.19
IUPAC Name9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ncnc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1
InChIInChI=1S/C39H23N5O/c1-5-13-32-26(9-1)27-10-2-6-14-33(27)43(32)25-18-20-37-31(22-25)30-21-24(17-19-36(30)45-37)38-40-23-41-39(42-38)44-34-15-7-3-11-28(34)29-12-4-8-16-35(29)44/h1-23H
InChIKeyLFWRVJHHYMPMKA-UHFFFAOYSA-N
XLogP9.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-dibenzofuran-2-yl-1,3,5-triazin-2-yl)carbazole;ethane
CID 145072049
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-[4-(7-carbazol-9-yldibenzofuran-2-yl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]carbazole
CID 170371144
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
9-[16-[2,4,5-tris(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147302
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
9-(16-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole
CID 59147212

Frequently Asked Questions

What is the IUPAC name of 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole (CID 89433730) is 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ccc(-c4ncnc(-n5c6ccccc6c6ccccc65)n4)cc3c2c1.
What is the InChIKey of 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is LFWRVJHHYMPMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O/c1-5-13-32-26(9-1)27-10-2-6-14-33(27)43(32)25-18-20-37-31(22-25)30-21-24(17-19-36(30)45-37)38-40-23-41-39(42-38)44-34-15-7-3-11-28(34)29-12-4-8-16-35(29)44/h1-23H.
What are the key properties of 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole?
9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 577.65 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(8-carbazol-9-yldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 89433730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).