5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole

C47H28N4S — CID 162703662

IUPAC5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4cc4sc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)n2)cc1
InChIInChI=1S/C47H28N4S/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)44-35-20-10-9-19-33(35)27-42-43(44)38-28-34(23-24-41(38)52-42)51-39-22-12-11-21-36(39)37-25-31-17-7-8-18-32(31)26-40(37)51/h1-28H
InChIKeyNLLLUMSFTHJRKZ-UHFFFAOYSA-N
MW680.84 g/mol
LogP12.64
Rot. Bonds4

About 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole

5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole (PubChem CID 162703662) has the molecular formula C47H28N4S and a molecular weight of 680.84 g/mol. Its IUPAC name is 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole
PubChem CID162703662
Molecular FormulaC47H28N4S
Molecular Weight680.84 g/mol
Exact Mass680.20
IUPAC Name5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4cc4sc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)n2)cc1
InChIInChI=1S/C47H28N4S/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)44-35-20-10-9-19-33(35)27-42-43(44)38-28-34(23-24-41(38)52-42)51-39-22-12-11-21-36(39)37-25-31-17-7-8-18-32(31)26-40(37)51/h1-28H
InChIKeyNLLLUMSFTHJRKZ-UHFFFAOYSA-N
XLogP12.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.84
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[b]carbazole
CID 162703781
5-[3-naphtho[2,3-b][1]benzothiol-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430752
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477477
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-dibenzothiophen-1-ylphenyl]benzo[b]carbazole
CID 155430250
5-[3-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 163791051
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl]carbazole
CID 162781391
3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159267968
9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-thia-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 134224667

Frequently Asked Questions

What is the IUPAC name of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole (CID 162703662) is 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4cc4sc5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5c34)n2)cc1.
What is the InChIKey of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole?
The InChIKey is NLLLUMSFTHJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4S/c1-3-13-29(14-4-1)45-48-46(30-15-5-2-6-16-30)50-47(49-45)44-35-20-10-9-19-33(35)27-42-43(44)38-28-34(23-24-41(38)52-42)51-39-22-12-11-21-36(39)37-25-31-17-7-8-18-32(31)26-40(37)51/h1-28H.
What are the key properties of 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole?
5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole has a molecular weight of 680.84 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzothiol-2-yl]benzo[b]carbazole is sourced from PubChem (CID 162703662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).