4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole

C51H32N4S — CID 165101117

IUPAC4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)sc4c(-c5ccccc5)cccc46)n3)c2)cc1
InChIInChI=1S/C51H32N4S/c1-4-16-33(17-5-1)36-22-14-23-37(30-36)50-52-49(35-20-8-3-9-21-35)53-51(54-50)41-25-11-13-29-45(41)55-44-28-12-10-24-39(44)42-31-43-40-27-15-26-38(34-18-6-2-7-19-34)48(40)56-47(43)32-46(42)55/h1-32H
InChIKeyOEAHQTPQJNGGFZ-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.67
Rot. Bonds6

About 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole

4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 165101117) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID165101117
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)sc4c(-c5ccccc5)cccc46)n3)c2)cc1
InChIInChI=1S/C51H32N4S/c1-4-16-33(17-5-1)36-22-14-23-37(30-36)50-52-49(35-20-8-3-9-21-35)53-51(54-50)41-25-11-13-29-45(41)55-44-28-12-10-24-39(44)42-31-43-40-27-15-26-38(34-18-6-2-7-19-34)48(40)56-47(43)32-46(42)55/h1-32H
InChIKeyOEAHQTPQJNGGFZ-UHFFFAOYSA-N
XLogP13.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347
2-dibenzothiophen-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165032572
9-[2-[4-[4-(1-benzothiophen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183666
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
CID 168831689
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
2-phenyl-9-[4-phenyl-6-[3-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155329843
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15(20),16,18-nonaen-5-yl]carbazole
CID 146664284
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 165101117) is 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5cc6c(cc54)sc4c(-c5ccccc5)cccc46)n3)c2)cc1.
What is the InChIKey of 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is OEAHQTPQJNGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-4-16-33(17-5-1)36-22-14-23-37(30-36)50-52-49(35-20-8-3-9-21-35)53-51(54-50)41-25-11-13-29-45(41)55-44-28-12-10-24-39(44)42-31-43-40-27-15-26-38(34-18-6-2-7-19-34)48(40)56-47(43)32-46(42)55/h1-32H.
What are the key properties of 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole?
4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 732.91 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 165101117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).