9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole

C51H32N4OS — CID 170074157

IUPAC9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)sc3ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc34)c3ccccc23)CC1
InChIInChI=1S/C51H32N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)39-18-11-21-45-48(39)41-29-33(22-26-44(41)56-45)34-23-27-46-40(28-34)38-25-24-35(30-47(38)57-46)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-9,11-19,21-30H,10,20H2
InChIKeyJRYXXEMZVKLWPK-UHFFFAOYSA-N
MW748.91 g/mol
LogP13.71
Rot. Bonds5

About 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole

9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole (PubChem CID 170074157) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole.

Molecular Properties

Compound Name9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole
PubChem CID170074157
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole
SMILESC1=Cc2c(n(-c3ccc4c(c3)sc3ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc34)c3ccccc23)CC1
InChIInChI=1S/C51H32N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)39-18-11-21-45-48(39)41-29-33(22-26-44(41)56-45)34-23-27-46-40(28-34)38-25-24-35(30-47(38)57-46)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-9,11-19,21-30H,10,20H2
InChIKeyJRYXXEMZVKLWPK-UHFFFAOYSA-N
XLogP13.71
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-1,2-dihydrocarbazole
CID 170144355
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010831
3-[8-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768676
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169011395
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15(20),16,18-nonaen-17-yl]carbazole
CID 162781296
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-17-yl]carbazole
CID 162781341
3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768786
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953299
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-3-(3-phenylphenyl)carbazole
CID 165166733

Frequently Asked Questions

What is the IUPAC name of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole?
The IUPAC name of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole (CID 170074157) is 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole.
What is the SMILES notation for 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole?
The canonical SMILES for 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccc4c(c3)sc3ccc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)cc34)c3ccccc23)CC1.
What is the InChIKey of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole?
The InChIKey is JRYXXEMZVKLWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-3-12-31(13-4-1)49-52-50(32-14-5-2-6-15-32)54-51(53-49)39-18-11-21-45-48(39)41-29-33(22-26-44(41)56-45)34-23-27-46-40(28-34)38-25-24-35(30-47(38)57-46)55-42-19-9-7-16-36(42)37-17-8-10-20-43(37)55/h1-9,11-19,21-30H,10,20H2.
What are the key properties of 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole?
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole has a molecular weight of 748.91 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-3-yl]-1,2-dihydrocarbazole is sourced from PubChem (CID 170074157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).