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

C43H26N4S — CID 166915327

IUPAC7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C43H26N4S/c1-2-13-28(14-3-1)41-44-42(46-43(45-41)35-21-11-20-33-32-18-7-9-23-38(32)48-40(33)35)29-15-10-16-30(26-29)47-36-22-8-6-19-34(36)39-31-17-5-4-12-27(31)24-25-37(39)47/h1-26H
InChIKeySFKBRJRVIKFEHD-UHFFFAOYSA-N
MW630.78 g/mol
LogP11.49
Rot. Bonds4

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

7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 166915327) has the molecular formula C43H26N4S and a molecular weight of 630.78 g/mol. Its IUPAC name is 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
PubChem CID166915327
Molecular FormulaC43H26N4S
Molecular Weight630.78 g/mol
Exact Mass630.19
IUPAC Name7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C43H26N4S/c1-2-13-28(14-3-1)41-44-42(46-43(45-41)35-21-11-20-33-32-18-7-9-23-38(32)48-40(33)35)29-15-10-16-30(26-29)47-36-22-8-6-19-34(36)39-31-17-5-4-12-27(31)24-25-37(39)47/h1-26H
InChIKeySFKBRJRVIKFEHD-UHFFFAOYSA-N
XLogP11.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

14-[3-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156552099
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 147359936
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621277
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 130265429
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170927836
5-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139496961
9-[3-[4-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 168831658
7-[3-(4-fluoranthen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 170109568
5-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154692
7-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole
CID 163763843
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
7-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole;7-[4-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]benzo[c]carbazole
CID 163623895

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole (CID 166915327) is 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6ccccc6ccc54)c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
The InChIKey is SFKBRJRVIKFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S/c1-2-13-28(14-3-1)41-44-42(46-43(45-41)35-21-11-20-33-32-18-7-9-23-38(32)48-40(33)35)29-15-10-16-30(26-29)47-36-22-8-6-19-34(36)39-31-17-5-4-12-27(31)24-25-37(39)47/h1-26H.
What are the key properties of 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole?
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole has a molecular weight of 630.78 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 166915327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).