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

C45H28N4S — CID 146616859

IUPAC9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccccc5)cccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-4-14-29(15-5-1)33-21-12-23-37-35-27-26-31(28-40(35)50-42(33)37)44-46-43(30-16-6-2-7-17-30)47-45(48-44)38-24-13-22-36-34-20-10-11-25-39(34)49(41(36)38)32-18-8-3-9-19-32/h1-28H
InChIKeyUCCIQIDNOWZVST-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

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

9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 146616859) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID146616859
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccccc5)cccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-4-14-29(15-5-1)33-21-12-23-37-35-27-26-31(28-40(35)50-42(33)37)44-46-43(30-16-6-2-7-17-30)47-45(48-44)38-24-13-22-36-34-20-10-11-25-39(34)49(41(36)38)32-18-8-3-9-19-32/h1-28H
InChIKeyUCCIQIDNOWZVST-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601872
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170132368
9-(4-dibenzothiophen-3-ylphenyl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171437952
9-phenyl-2-[2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]carbazole
CID 170192315
12-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 164953755
1-[4-naphthalen-1-yl-6-(3-naphtho[1,2-b][1]benzothiol-9-yl-5-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736807
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 163934459
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(4-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-phenyl-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-phenyl-18-[4-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 163956308
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole (CID 146616859) is 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)sc3c(-c5ccccc5)cccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is UCCIQIDNOWZVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S/c1-4-14-29(15-5-1)33-21-12-23-37-35-27-26-31(28-40(35)50-42(33)37)44-46-43(30-16-6-2-7-17-30)47-45(48-44)38-24-13-22-36-34-20-10-11-25-39(34)49(41(36)38)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole?
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 656.81 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 146616859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).