7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole

C49H30N4S — CID 170412256

IUPAC7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc3c2sc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C49H30N4S/c1-4-14-31(15-5-1)35-27-28-41-40(30-35)44-36-21-11-10-16-32(36)26-29-42(44)53(41)43-25-13-23-38-37-22-12-24-39(45(37)54-46(38)43)49-51-47(33-17-6-2-7-18-33)50-48(52-49)34-19-8-3-9-20-34/h1-30H
InChIKeyKCLDDZOCKDADRE-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.16
Rot. Bonds5

About 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole

7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole (PubChem CID 170412256) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole
PubChem CID170412256
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc3c2sc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C49H30N4S/c1-4-14-31(15-5-1)35-27-28-41-40(30-35)44-36-21-11-10-16-32(36)26-29-42(44)53(41)43-25-13-23-38-37-22-12-24-39(45(37)54-46(38)43)49-51-47(33-17-6-2-7-18-33)50-48(52-49)34-19-8-3-9-20-34/h1-30H
InChIKeyKCLDDZOCKDADRE-UHFFFAOYSA-N
XLogP13.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211178
3-[3-[4-(18-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-[7-(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-18-yl]carbazole
CID 166980225
5-[6-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 170412246
10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031903
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 166495798
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500143
5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole
CID 154968439
7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,10-diphenylbenzo[c]carbazole
CID 170412163
12-[2-[2-[4-phenyl-6-(3-phenylphenyl)-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 167031823
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211464

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole?
The IUPAC name of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole (CID 170412256) is 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole?
The canonical SMILES for 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc3c2sc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1.
What is the InChIKey of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole?
The InChIKey is KCLDDZOCKDADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-4-14-31(15-5-1)35-27-28-41-40(30-35)44-36-21-11-10-16-32(36)26-29-42(44)53(41)43-25-13-23-38-37-22-12-24-39(45(37)54-46(38)43)49-51-47(33-17-6-2-7-18-33)50-48(52-49)34-19-8-3-9-20-34/h1-30H.
What are the key properties of 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole?
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole has a molecular weight of 706.87 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 170412256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).