7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole

C52H34N4S — CID 170412646

IUPAC7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6c45)n3)ccc21
InChIInChI=1S/C52H34N4S/c1-52(2)41-20-10-8-17-36(41)40-29-33(23-27-42(40)52)50-53-49(32-14-4-3-5-15-32)54-51(55-50)39-19-12-22-45-48(39)38-26-25-34(30-46(38)57-45)56-43-21-11-9-18-37(43)47-35-16-7-6-13-31(35)24-28-44(47)56/h3-30H,1-2H3
InChIKeyZHIKQPMZVCTQRX-UHFFFAOYSA-N
MW746.94 g/mol
LogP13.80
Rot. Bonds4

About 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole

7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole (PubChem CID 170412646) has the molecular formula C52H34N4S and a molecular weight of 746.94 g/mol. Its IUPAC name is 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole
PubChem CID170412646
Molecular FormulaC52H34N4S
Molecular Weight746.94 g/mol
Exact Mass746.25
IUPAC Name7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6c45)n3)ccc21
InChIInChI=1S/C52H34N4S/c1-52(2)41-20-10-8-17-36(41)40-29-33(23-27-42(40)52)50-53-49(32-14-4-3-5-15-32)54-51(55-50)39-19-12-22-45-48(39)38-26-25-34(30-46(38)57-45)56-43-21-11-9-18-37(43)47-35-16-7-6-13-31(35)24-28-44(47)56/h3-30H,1-2H3
InChIKeyZHIKQPMZVCTQRX-UHFFFAOYSA-N
XLogP13.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.94
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130231202
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 170680805
7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole
CID 154968711
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
17-benzo[c]carbazol-7-yl-14-[3-(4,6-diphenyl-1,3,5-triazin-2-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(20),16,18-nonaene
CID 155006696
10-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 158568095
9-[6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole;9-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]carbazole
CID 167656369
12-[4-[4,6-di(dibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163459719
12-[4-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166916053
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
8-(9,9-dimethylfluoren-3-yl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;ethane
CID 142570369

Frequently Asked Questions

What is the IUPAC name of 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole?
The IUPAC name of 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole (CID 170412646) is 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6cc(-n7c8ccccc8c8c9ccccc9ccc87)ccc6c45)n3)ccc21.
What is the InChIKey of 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole?
The InChIKey is ZHIKQPMZVCTQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4S/c1-52(2)41-20-10-8-17-36(41)40-29-33(23-27-42(40)52)50-53-49(32-14-4-3-5-15-32)54-51(55-50)39-19-12-22-45-48(39)38-26-25-34(30-46(38)57-45)56-43-21-11-9-18-37(43)47-35-16-7-6-13-31(35)24-28-44(47)56/h3-30H,1-2H3.
What are the key properties of 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole?
7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole has a molecular weight of 746.94 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[c]carbazole is sourced from PubChem (CID 170412646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).