9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole

C55H30N4OS2 — CID 162700672

IUPAC9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3cc4sc5ccc6sc7c(-c8nc(-c9ccccc9)nc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)n8)ccc8oc(c3c2)c4c5c6c87)cc1
InChIInChI=1S/C55H30N4OS2/c1-4-12-31(13-5-1)33-20-21-34-30-46-50-49-44(61-46)26-27-45-48(49)47-43(60-51(50)40(34)28-33)25-24-39(52(47)62-45)55-57-53(32-14-6-2-7-15-32)56-54(58-55)35-22-23-38-37-18-10-11-19-41(37)59(42(38)29-35)36-16-8-3-9-17-36/h1-30H
InChIKeyFKZDCFNVQDAXPO-UHFFFAOYSA-N
MW827.01 g/mol
LogP15.71
Rot. Bonds5

About 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole

9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 162700672) has the molecular formula C55H30N4OS2 and a molecular weight of 827.01 g/mol. Its IUPAC name is 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID162700672
Molecular FormulaC55H30N4OS2
Molecular Weight827.01 g/mol
Exact Mass826.19
IUPAC Name9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc3cc4sc5ccc6sc7c(-c8nc(-c9ccccc9)nc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)n8)ccc8oc(c3c2)c4c5c6c87)cc1
InChIInChI=1S/C55H30N4OS2/c1-4-12-31(13-5-1)33-20-21-34-30-46-50-49-44(61-46)26-27-45-48(49)47-43(60-51(50)40(34)28-33)25-24-39(52(47)62-45)55-57-53(32-14-6-2-7-15-32)56-54(58-55)35-22-23-38-37-18-10-11-19-41(37)59(42(38)29-35)36-16-8-3-9-17-36/h1-30H
InChIKeyFKZDCFNVQDAXPO-UHFFFAOYSA-N
XLogP15.71
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.01
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

9-phenyl-2-[4-phenyl-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 155329903
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774
9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 168768781
2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767810
2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-[7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 159094409
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
9-[3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]phenyl]phenyl]carbazole
CID 161300621
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768047
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
2-[7-[9-[4-(7-dibenzothiophen-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768205
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
9-(4-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438054

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole (CID 162700672) is 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc3cc4sc5ccc6sc7c(-c8nc(-c9ccccc9)nc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)n8)ccc8oc(c3c2)c4c5c6c87)cc1.
What is the InChIKey of 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is FKZDCFNVQDAXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H30N4OS2/c1-4-12-31(13-5-1)33-20-21-34-30-46-50-49-44(61-46)26-27-45-48(49)47-43(60-51(50)40(34)28-33)25-24-39(52(47)62-45)55-57-53(32-14-6-2-7-15-32)56-54(58-55)35-22-23-38-37-18-10-11-19-41(37)59(42(38)29-35)36-16-8-3-9-17-36/h1-30H.
What are the key properties of 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole?
9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 827.01 g/mol, XLogP of 15.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[4-phenyl-6-(4-phenyl-25-oxa-10,15-dithiaheptacyclo[18.4.1.02,7.09,24.011,23.014,22.016,21]pentacosa-1,3,5,7,9(24),11(23),12,14(22),16,18,20-undecaen-17-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 162700672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).