7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole

C52H34N4S — CID 170117986

IUPAC7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole
SMILESCN1C(c2ccc3ccccc3c2)=NC(c2ccc3c(c2)sc2cccc(-n4c5ccccc5c5c6ccccc6ccc54)c23)=NC1c1ccc2ccccc2c1
InChIInChI=1S/C52H34N4S/c1-55-51(38-23-21-32-11-2-4-14-35(32)29-38)53-50(54-52(55)39-24-22-33-12-3-5-15-36(33)30-39)37-25-27-42-47(31-37)57-46-20-10-19-44(49(42)46)56-43-18-9-8-17-41(43)48-40-16-7-6-13-34(40)26-28-45(48)56/h2-31,51H,1H3
InChIKeyDPUCHHGOMONVMO-UHFFFAOYSA-N
MW746.94 g/mol
LogP13.45
Rot. Bonds4

About 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole

7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole (PubChem CID 170117986) has the molecular formula C52H34N4S and a molecular weight of 746.94 g/mol. Its IUPAC name is 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole
PubChem CID170117986
Molecular FormulaC52H34N4S
Molecular Weight746.94 g/mol
Exact Mass746.25
IUPAC Name7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole
SMILESCN1C(c2ccc3ccccc3c2)=NC(c2ccc3c(c2)sc2cccc(-n4c5ccccc5c5c6ccccc6ccc54)c23)=NC1c1ccc2ccccc2c1
InChIInChI=1S/C52H34N4S/c1-55-51(38-23-21-32-11-2-4-14-35(32)29-38)53-50(54-52(55)39-24-22-33-12-3-5-15-36(33)30-39)37-25-27-42-47(31-37)57-46-20-10-19-44(49(42)46)56-43-18-9-8-17-41(43)48-40-16-7-6-13-34(40)26-28-45(48)56/h2-31,51H,1H3
InChIKeyDPUCHHGOMONVMO-UHFFFAOYSA-N
XLogP13.45
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.94
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzothiophen-1-yl-14-(2-naphthalen-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167157227
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
7-naphthalen-1-yl-3-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351193
12-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-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 170414568
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(7-phenylnaphthalen-2-yl)benzo[a]carbazole
CID 167243655
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
12-[4-(4-dibenzothiophen-3-yl-1-methyl-6-phenyl-2H-pyrimidin-2-yl)phenyl]-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 118449589
5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 167043276
6-[3-[(2S)-1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228656

Frequently Asked Questions

What is the IUPAC name of 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole?
The IUPAC name of 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole (CID 170117986) is 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole?
The canonical SMILES for 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole is CN1C(c2ccc3ccccc3c2)=NC(c2ccc3c(c2)sc2cccc(-n4c5ccccc5c5c6ccccc6ccc54)c23)=NC1c1ccc2ccccc2c1.
What is the InChIKey of 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole?
The InChIKey is DPUCHHGOMONVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4S/c1-55-51(38-23-21-32-11-2-4-14-35(32)29-38)53-50(54-52(55)39-24-22-33-12-3-5-15-36(33)30-39)37-25-27-42-47(31-37)57-46-20-10-19-44(49(42)46)56-43-18-9-8-17-41(43)48-40-16-7-6-13-34(40)26-28-45(48)56/h2-31,51H,1H3.
What are the key properties of 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole?
7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole has a molecular weight of 746.94 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole is sourced from PubChem (CID 170117986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).