7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

C109H73N7S4 — CID 159780047

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)sc1ccccc13.Cc1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)sc1ccccc13.Cc1ccc2c3cc4c(cc3n(-c3ccccc3)c2c1)sc1ccccc14.Cc1ccc2sc3cc4c(cc3c2c1)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C34H22N4S.3C25H17NS/c1-21-16-17-28-25(18-21)26-19-27-24-14-8-9-15-30(24)39-31(27)20-29(26)38(28)34-36-32(22-10-4-2-5-11-22)35-33(37-34)23-12-6-3-7-13-23;1-16-11-12-18-20-14-21-19-9-5-6-10-24(19)27-25(21)15-23(20)26(22(18)13-16)17-7-3-2-4-8-17;1-16-11-12-24-20(13-16)21-14-19-18-9-5-6-10-22(18)26(17-7-3-2-4-8-17)23(19)15-25(21)27-24;1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17/h2-20H,1H3;3*2-15H,1H3
InChIKeyNHFWWVNDSWPKFN-UHFFFAOYSA-N
MW1609.10 g/mol
LogP31.36
Rot. Bonds6

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (PubChem CID 159780047) has the molecular formula C109H73N7S4 and a molecular weight of 1609.10 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
PubChem CID159780047
Molecular FormulaC109H73N7S4
Molecular Weight1609.10 g/mol
Exact Mass1607.48
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)sc1ccccc13.Cc1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)sc1ccccc13.Cc1ccc2c3cc4c(cc3n(-c3ccccc3)c2c1)sc1ccccc14.Cc1ccc2sc3cc4c(cc3c2c1)c1ccccc1n4-c1ccccc1
InChIInChI=1S/C34H22N4S.3C25H17NS/c1-21-16-17-28-25(18-21)26-19-27-24-14-8-9-15-30(24)39-31(27)20-29(26)38(28)34-36-32(22-10-4-2-5-11-22)35-33(37-34)23-12-6-3-7-13-23;1-16-11-12-18-20-14-21-19-9-5-6-10-24(19)27-25(21)15-23(20)26(22(18)13-16)17-7-3-2-4-8-17;1-16-11-12-24-20(13-16)21-14-19-18-9-5-6-10-22(18)26(17-7-3-2-4-8-17)23(19)15-25(21)27-24;1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17/h2-20H,1H3;3*2-15H,1H3
InChIKeyNHFWWVNDSWPKFN-UHFFFAOYSA-N
XLogP31.36
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.10
LogP ≤ 531.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

11-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 134168992
9-carbazol-9-yl-7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 155006788
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 166563520
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-7-(9-phenylcarbazol-3-yl)carbazole
CID 118083985
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
3-(4-carbazol-9-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 163774507
2-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 118154600
10-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole
CID 171730090
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,24-dithia-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 118301265
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole (CID 159780047) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)sc1ccccc13.Cc1ccc2c(c1)c1cc3c(cc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)sc1ccccc13.Cc1ccc2c3cc4c(cc3n(-c3ccccc3)c2c1)sc1ccccc14.Cc1ccc2sc3cc4c(cc3c2c1)c1ccccc1n4-c1ccccc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is NHFWWVNDSWPKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4S.3C25H17NS/c1-21-16-17-28-25(18-21)26-19-27-24-14-8-9-15-30(24)39-31(27)20-29(26)38(28)34-36-32(22-10-4-2-5-11-22)35-33(37-34)23-12-6-3-7-13-23;1-16-11-12-18-20-14-21-19-9-5-6-10-24(19)27-25(21)15-23(20)26(22(18)13-16)17-7-3-2-4-8-17;1-16-11-12-24-20(13-16)21-14-19-18-9-5-6-10-22(18)26(17-7-3-2-4-8-17)23(19)15-25(21)27-24;1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17/h2-20H,1H3;3*2-15H,1H3.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 1609.10 g/mol, XLogP of 31.36, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-[1]benzothiolo[2,3-b]carbazole;2-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;9-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole;10-methyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 159780047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).