7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole

C60H40N4S — CID 155006795

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(CC[C@H]6c7ccccc7-c7c(-c8ccccc8)cccc76)ccc5c5cc6c(cc54)sc4ccccc46)c3)n2)cc1
InChIInChI=1S/C60H40N4S/c1-4-16-39(17-5-1)44-27-15-28-50-46(45-24-10-11-26-49(45)57(44)50)32-30-38-31-33-47-51-36-52-48-25-12-13-29-55(48)65-56(52)37-54(51)64(53(47)34-38)43-23-14-22-42(35-43)60-62-58(40-18-6-2-7-19-40)61-59(63-60)41-20-8-3-9-21-41/h1-29,31,33-37,46H,30,32H2/t46-/m0/s1
InChIKeyLPCUGTXWKDGTNS-DXQCBLCSSA-N
MW849.08 g/mol
LogP15.75
Rot. Bonds8

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 155006795) has the molecular formula C60H40N4S and a molecular weight of 849.08 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID155006795
Molecular FormulaC60H40N4S
Molecular Weight849.08 g/mol
Exact Mass848.30
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(CC[C@H]6c7ccccc7-c7c(-c8ccccc8)cccc76)ccc5c5cc6c(cc54)sc4ccccc46)c3)n2)cc1
InChIInChI=1S/C60H40N4S/c1-4-16-39(17-5-1)44-27-15-28-50-46(45-24-10-11-26-49(45)57(44)50)32-30-38-31-33-47-51-36-52-48-25-12-13-29-55(48)65-56(52)37-54(51)64(53(47)34-38)43-23-14-22-42(35-43)60-62-58(40-18-6-2-7-19-40)61-59(63-60)41-20-8-3-9-21-41/h1-29,31,33-37,46H,30,32H2/t46-/m0/s1
InChIKeyLPCUGTXWKDGTNS-DXQCBLCSSA-N
XLogP15.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.08
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole
CID 166836622
9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 146572320
11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 157341243
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 154946577
9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312
7-[4-[4-(4-butylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 166953839
7-[3-[6-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630806
9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
CID 154624627
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole (CID 155006795) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5cc(CC[C@H]6c7ccccc7-c7c(-c8ccccc8)cccc76)ccc5c5cc6c(cc54)sc4ccccc46)c3)n2)cc1.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is LPCUGTXWKDGTNS-DXQCBLCSSA-N. The full InChI is InChI=1S/C60H40N4S/c1-4-16-39(17-5-1)44-27-15-28-50-46(45-24-10-11-26-49(45)57(44)50)32-30-38-31-33-47-51-36-52-48-25-12-13-29-55(48)65-56(52)37-54(51)64(53(47)34-38)43-23-14-22-42(35-43)60-62-58(40-18-6-2-7-19-40)61-59(63-60)41-20-8-3-9-21-41/h1-29,31,33-37,46H,30,32H2/t46-/m0/s1.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 849.08 g/mol, XLogP of 15.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-[(9S)-4-phenyl-9H-fluoren-9-yl]ethyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 155006795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).