1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole

C67H41N5S — CID 168807680

IUPAC1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-c7nc(-c8ccc(-c9ccc%10ccccc%10c9)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)cc65)c43)c2)cc1
InChIInChI=1S/C67H41N5S/c1-2-14-42(15-3-1)47-18-12-19-51(39-47)71-58-24-9-7-21-53(58)57-23-13-26-60(64(57)71)72-59-25-10-6-20-52(59)54-36-34-49(40-61(54)72)66-68-65(45-31-28-44(29-32-45)48-33-30-43-16-4-5-17-46(43)38-48)69-67(70-66)50-35-37-56-55-22-8-11-27-62(55)73-63(56)41-50/h1-41H
InChIKeyBWKXQLAUPTUPKR-UHFFFAOYSA-N
MW948.17 g/mol
LogP17.92
Rot. Bonds7

About 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole

1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 168807680) has the molecular formula C67H41N5S and a molecular weight of 948.17 g/mol. Its IUPAC name is 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
PubChem CID168807680
Molecular FormulaC67H41N5S
Molecular Weight948.17 g/mol
Exact Mass947.31
IUPAC Name1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-c7nc(-c8ccc(-c9ccc%10ccccc%10c9)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)cc65)c43)c2)cc1
InChIInChI=1S/C67H41N5S/c1-2-14-42(15-3-1)47-18-12-19-51(39-47)71-58-24-9-7-21-53(58)57-23-13-26-60(64(57)71)72-59-25-10-6-20-52(59)54-36-34-49(40-61(54)72)66-68-65(45-31-28-44(29-32-45)48-33-30-43-16-4-5-17-46(43)38-48)69-67(70-66)50-35-37-56-55-22-8-11-27-62(55)73-63(56)41-50/h1-41H
InChIKeyBWKXQLAUPTUPKR-UHFFFAOYSA-N
XLogP17.92
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.17
LogP ≤ 517.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807703
12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 147484306
1-dibenzothiophen-3-yl-9-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 163716128
9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
CID 168807795
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
12-dibenzothiophen-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385380
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 172500329
5-[4-(4-dibenzothiophen-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole;5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 159785914
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 166915369
9-[3-[4-dibenzothiophen-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747138

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole (CID 168807680) is 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc(-c7nc(-c8ccc(-c9ccc%10ccccc%10c9)cc8)nc(-c8ccc9c(c8)sc8ccccc89)n7)cc65)c43)c2)cc1.
What is the InChIKey of 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is BWKXQLAUPTUPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N5S/c1-2-14-42(15-3-1)47-18-12-19-51(39-47)71-58-24-9-7-21-53(58)57-23-13-26-60(64(57)71)72-59-25-10-6-20-52(59)54-36-34-49(40-61(54)72)66-68-65(45-31-28-44(29-32-45)48-33-30-43-16-4-5-17-46(43)38-48)69-67(70-66)50-35-37-56-55-22-8-11-27-62(55)73-63(56)41-50/h1-41H.
What are the key properties of 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole?
1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 948.17 g/mol, XLogP of 17.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 168807680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).