12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole

C133H86N12OS3 — CID 157433894

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole
SMILESC/C=C/c1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3sc4c(cc(-c5ccccc5)c5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1
InChIInChI=1S/C51H32N4S.C42H28N4S.C40H26N4OS/c1-6-16-33(17-7-1)38-26-28-44-43(31-38)46-40(35-20-10-3-11-21-35)32-42-41-30-39(34-18-8-2-9-19-34)27-29-45(41)56-48(42)47(46)55(44)51-53-49(36-22-12-4-13-23-36)52-50(54-51)37-24-14-5-15-25-37;1-2-12-27-19-23-36-34(25-27)32-21-22-33-35-26-31(28-13-6-3-7-14-28)20-24-37(35)47-39(33)38(32)46(36)42-44-40(29-15-8-4-9-16-29)43-41(45-42)30-17-10-5-11-18-30;1-45-29-18-21-34-32(24-29)30-19-20-31-33-23-28(25-11-5-2-6-12-25)17-22-35(33)46-37(31)36(30)44(34)40-42-38(26-13-7-3-8-14-26)41-39(43-40)27-15-9-4-10-16-27/h1-32H;2-26H,1H3;2-24H,1H3/b;12-2+;
InChIKeyBQWCRPRNYOHWAM-UKZCJVNYSA-N
MW1964.43 g/mol
LogP35.39
Rot. Bonds16

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 157433894) has the molecular formula C133H86N12OS3 and a molecular weight of 1964.43 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole
PubChem CID157433894
Molecular FormulaC133H86N12OS3
Molecular Weight1964.43 g/mol
Exact Mass1962.62
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole
SMILESC/C=C/c1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3sc4c(cc(-c5ccccc5)c5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1
InChIInChI=1S/C51H32N4S.C42H28N4S.C40H26N4OS/c1-6-16-33(17-7-1)38-26-28-44-43(31-38)46-40(35-20-10-3-11-21-35)32-42-41-30-39(34-18-8-2-9-19-34)27-29-45(41)56-48(42)47(46)55(44)51-53-49(36-22-12-4-13-23-36)52-50(54-51)37-24-14-5-15-25-37;1-2-12-27-19-23-36-34(25-27)32-21-22-33-35-26-31(28-13-6-3-7-14-28)20-24-37(35)47-39(33)38(32)46(36)42-44-40(29-15-8-4-9-16-29)43-41(45-42)30-17-10-5-11-18-30;1-45-29-18-21-34-32(24-29)30-19-20-31-33-23-28(25-11-5-2-6-12-25)17-22-35(33)46-37(31)36(30)44(34)40-42-38(26-13-7-3-8-14-26)41-39(43-40)27-15-9-4-10-16-27/h1-32H;2-26H,1H3;2-24H,1H3/b;12-2+;
InChIKeyBQWCRPRNYOHWAM-UKZCJVNYSA-N
XLogP35.39
TPSA140.03 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001964.43
LogP ≤ 535.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole with MolForge

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Related Compounds

6-(9,9-Diethylfluoren-2-yl)-12-(2,5-diphenyl-1,2,4-triazol-3-yl)-8-fluoro-3-methoxy-[1]benzothiolo[2,3-a]carbazole
CID 134534107
24-(4,6-Diphenyl-1,3,5-triazin-2-yl)-7-methoxy-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 89712264
24-(4,6-Diphenyl-1,3,5-triazin-2-yl)-7-methoxy-20-phenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 89712299
12-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 89712364
N-[4-[5-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90196609
16-(2,6-Diphenylpyrimidin-4-yl)-27-methoxy-31-thia-16-azaoctacyclo[15.15.0.02,15.03,8.09,14.018,23.024,32.025,30]dotriaconta-1(17),2(15),3,5,7,9,11,13,18,20,22,24(32),25(30),26,28-pentadecaene
CID 117686609
18-(2,6-Diphenylpyrimidin-4-yl)-7-methoxy-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 117686634
12-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9-methoxy-4-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 117692926
24-(4,6-Diphenyl-1,3,5-triazin-2-yl)-20-methoxy-7-phenyl-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 117692934
24-(4,6-Diphenyl-1,3,5-triazin-2-yl)-20-methoxy-7-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 117692944
12-(4,6-Diphenyl-1,3,5-triazin-2-yl)-4-methoxy-9-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 117694265
12-(4,6-Diphenyl-1,3,5-triazin-2-yl)-8-methoxy-3-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 117694272

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole (CID 157433894) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole is C/C=C/c1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc2c(c1)c1ccc3c4cc(-c5ccccc5)ccc4sc3c1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3sc4c(cc(-c5ccccc5)c5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)c3c2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is BQWCRPRNYOHWAM-UKZCJVNYSA-N. The full InChI is InChI=1S/C51H32N4S.C42H28N4S.C40H26N4OS/c1-6-16-33(17-7-1)38-26-28-44-43(31-38)46-40(35-20-10-3-11-21-35)32-42-41-30-39(34-18-8-2-9-19-34)27-29-45(41)56-48(42)47(46)55(44)51-53-49(36-22-12-4-13-23-36)52-50(54-51)37-24-14-5-15-25-37;1-2-12-27-19-23-36-34(25-27)32-21-22-33-35-26-31(28-13-6-3-7-14-28)20-24-37(35)47-39(33)38(32)46(36)42-44-40(29-15-8-4-9-16-29)43-41(45-42)30-17-10-5-11-18-30;1-45-29-18-21-34-32(24-29)30-19-20-31-33-23-28(25-11-5-2-6-12-25)17-22-35(33)46-37(31)36(30)44(34)40-42-38(26-13-7-3-8-14-26)41-39(43-40)27-15-9-4-10-16-27/h1-32H;2-26H,1H3;2-24H,1H3/b;12-2+;.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 1964.43 g/mol, XLogP of 35.39, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methoxy-8-phenyl-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-3-[(E)-prop-1-enyl]-[1]benzothiolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5,8-triphenyl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 157433894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).