2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine

C97H58Cl3N9S3 — CID 161201937

IUPAC2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2c(-c4ccccc4)cccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccc(-c4ccccc4-c4ccccc4)cc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3sc4cc(-c5cccc(-c6ccccc6)c5)c5ccccc5c4c3c2)n1
InChIInChI=1S/C37H22ClN3S.C33H20ClN3S.C27H16ClN3S/c38-37-40-35(24-12-5-2-6-13-24)39-36(41-37)27-18-19-32-31(21-27)34-29-17-8-7-16-28(29)30(22-33(34)42-32)26-15-9-14-25(20-26)23-10-3-1-4-11-23;34-33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-15-17-27-28-19-23(16-18-29(28)38-30(27)20-24)26-14-8-7-13-25(26)21-9-3-1-4-10-21;28-27-30-25(18-10-5-2-6-11-18)29-26(31-27)19-14-15-21-22-13-7-12-20(17-8-3-1-4-9-17)24(22)32-23(21)16-19/h1-22H;1-20H;1-16H
InChIKeyUVCBSROXEVUACO-UHFFFAOYSA-N
MW1552.15 g/mol
LogP28.17
Rot. Bonds11

About 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine

2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine (PubChem CID 161201937) has the molecular formula C97H58Cl3N9S3 and a molecular weight of 1552.15 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
PubChem CID161201937
Molecular FormulaC97H58Cl3N9S3
Molecular Weight1552.15 g/mol
Exact Mass1549.30
IUPAC Name2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2c(-c4ccccc4)cccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccc(-c4ccccc4-c4ccccc4)cc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3sc4cc(-c5cccc(-c6ccccc6)c5)c5ccccc5c4c3c2)n1
InChIInChI=1S/C37H22ClN3S.C33H20ClN3S.C27H16ClN3S/c38-37-40-35(24-12-5-2-6-13-24)39-36(41-37)27-18-19-32-31(21-27)34-29-17-8-7-16-28(29)30(22-33(34)42-32)26-15-9-14-25(20-26)23-10-3-1-4-11-23;34-33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-15-17-27-28-19-23(16-18-29(28)38-30(27)20-24)26-14-8-7-13-25(26)21-9-3-1-4-10-21;28-27-30-25(18-10-5-2-6-11-18)29-26(31-27)19-14-15-21-22-13-7-12-20(17-8-3-1-4-9-17)24(22)32-23(21)16-19/h1-22H;1-20H;1-16H
InChIKeyUVCBSROXEVUACO-UHFFFAOYSA-N
XLogP28.17
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.15
LogP ≤ 528.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850235
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2-(3-dibenzothiophen-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 161029861
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 155470926
2-chloro-4-(8-naphthalen-1-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(7-phenanthren-9-yldibenzothiophen-1-yl)-6-phenyl-1,3,5-triazine;2-chloro-4-(9-phenyldibenzothiophen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 158906470
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-(4-dibenzothiophen-2-ylphenyl)-4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 158035898
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine (CID 161201937) is 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2c(-c4ccccc4)cccc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccc(-c4ccccc4-c4ccccc4)cc23)n1.Clc1nc(-c2ccccc2)nc(-c2ccc3sc4cc(-c5cccc(-c6ccccc6)c5)c5ccccc5c4c3c2)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
The InChIKey is UVCBSROXEVUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3S.C33H20ClN3S.C27H16ClN3S/c38-37-40-35(24-12-5-2-6-13-24)39-36(41-37)27-18-19-32-31(21-27)34-29-17-8-7-16-28(29)30(22-33(34)42-32)26-15-9-14-25(20-26)23-10-3-1-4-11-23;34-33-36-31(22-11-5-2-6-12-22)35-32(37-33)24-15-17-27-28-19-23(16-18-29(28)38-30(27)20-24)26-14-8-7-13-25(26)21-9-3-1-4-10-21;28-27-30-25(18-10-5-2-6-11-18)29-26(31-27)19-14-15-21-22-13-7-12-20(17-8-3-1-4-9-17)24(22)32-23(21)16-19/h1-22H;1-20H;1-16H.
What are the key properties of 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine?
2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine has a molecular weight of 1552.15 g/mol, XLogP of 28.17, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazine;2-chloro-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-chloro-4-phenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine is sourced from PubChem (CID 161201937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).