5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole

C63H41N5S — CID 174273713

IUPAC5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)cccc43)NC(c3cccc4sc5ccccc5c34)=N2)cc1
InChIInChI=1S/C63H41N5S/c1-4-19-40(20-5-1)42-37-38-47-55(39-42)67(43-23-8-3-9-24-43)53-33-16-28-45(59(47)53)44-29-17-34-54-58(44)46-25-10-13-31-51(46)68(54)52-32-14-11-26-48(52)62-64-61(41-21-6-2-7-22-41)65-63(66-62)50-30-18-36-57-60(50)49-27-12-15-35-56(49)69-57/h1-39,62H,(H,64,65,66)
InChIKeyWGVRNOQWTTTZAT-UHFFFAOYSA-N
MW900.12 g/mol
LogP16.08
Rot. Bonds7

About 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole

5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole (PubChem CID 174273713) has the molecular formula C63H41N5S and a molecular weight of 900.12 g/mol. Its IUPAC name is 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole.

Molecular Properties

Compound Name5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
PubChem CID174273713
Molecular FormulaC63H41N5S
Molecular Weight900.12 g/mol
Exact Mass899.31
IUPAC Name5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
SMILESc1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)cccc43)NC(c3cccc4sc5ccccc5c34)=N2)cc1
InChIInChI=1S/C63H41N5S/c1-4-19-40(20-5-1)42-37-38-47-55(39-42)67(43-23-8-3-9-24-43)53-33-16-28-45(59(47)53)44-29-17-34-54-58(44)46-25-10-13-31-51(46)68(54)52-32-14-11-26-48(52)62-64-61(41-21-6-2-7-22-41)65-63(66-62)50-30-18-36-57-60(50)49-27-12-15-35-56(49)69-57/h1-39,62H,(H,64,65,66)
InChIKeyWGVRNOQWTTTZAT-UHFFFAOYSA-N
XLogP16.08
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.12
LogP ≤ 516.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole with MolForge

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Related Compounds

4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274174
4-carbazol-9-yl-9-[3-(6-dibenzothiophen-3-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097785
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
CID 174272506
9-[9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962088
9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
CID 174245169
9-[2-[4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-2-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174271172
14-[3-[6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170106111
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
2-[3-(4-dibenzothiophen-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-9-phenylcarbazole
CID 142504958

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole?
The IUPAC name of 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole (CID 174273713) is 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole.
What is the SMILES notation for 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole?
The canonical SMILES for 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole is c1ccc(C2=NC(c3ccccc3-n3c4ccccc4c4c(-c5cccc6c5c5ccc(-c7ccccc7)cc5n6-c5ccccc5)cccc43)NC(c3cccc4sc5ccccc5c34)=N2)cc1.
What is the InChIKey of 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole?
The InChIKey is WGVRNOQWTTTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5S/c1-4-19-40(20-5-1)42-37-38-47-55(39-42)67(43-23-8-3-9-24-43)53-33-16-28-45(59(47)53)44-29-17-34-54-58(44)46-25-10-13-31-51(46)68(54)52-32-14-11-26-48(52)62-64-61(41-21-6-2-7-22-41)65-63(66-62)50-30-18-36-57-60(50)49-27-12-15-35-56(49)69-57/h1-39,62H,(H,64,65,66).
What are the key properties of 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole?
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole has a molecular weight of 900.12 g/mol, XLogP of 16.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole is sourced from PubChem (CID 174273713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).