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

C131H80N10S3 — CID 163763843

IUPAC7-[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
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/2C44H27N3S.C43H26N4S/c1-3-14-29(15-4-1)37-27-38(46-44(45-37)30-16-5-2-6-17-30)36-26-31(25-35-33-19-10-12-22-41(33)48-43(35)36)47-39-21-11-9-20-34(39)42-32-18-8-7-13-28(32)23-24-40(42)47;1-3-14-29(15-4-1)37-27-38(30-16-5-2-6-17-30)46-44(45-37)36-26-31(25-35-33-19-10-12-22-41(33)48-43(35)36)47-39-21-11-9-20-34(39)42-32-18-8-7-13-28(32)23-24-40(42)47;1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)35-26-30(25-34-32-19-10-12-22-38(32)48-40(34)35)47-36-21-11-9-20-33(36)39-31-18-8-7-13-27(31)23-24-37(39)47/h2*1-27H;1-26H
InChIKeyMANCBQIZHSTQRQ-UHFFFAOYSA-N
MW1890.35 g/mol
LogP35.68
Rot. Bonds12

About 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

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 (PubChem CID 163763843) has the molecular formula C131H80N10S3 and a molecular weight of 1890.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID163763843
Molecular FormulaC131H80N10S3
Molecular Weight1890.35 g/mol
Exact Mass1888.57
IUPAC Name7-[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
SMILESc1ccc(-c2cc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/2C44H27N3S.C43H26N4S/c1-3-14-29(15-4-1)37-27-38(46-44(45-37)30-16-5-2-6-17-30)36-26-31(25-35-33-19-10-12-22-41(33)48-43(35)36)47-39-21-11-9-20-34(39)42-32-18-8-7-13-28(32)23-24-40(42)47;1-3-14-29(15-4-1)37-27-38(30-16-5-2-6-17-30)46-44(45-37)36-26-31(25-35-33-19-10-12-22-41(33)48-43(35)36)47-39-21-11-9-20-34(39)42-32-18-8-7-13-28(32)23-24-40(42)47;1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)35-26-30(25-34-32-19-10-12-22-38(32)48-40(34)35)47-36-21-11-9-20-33(36)39-31-18-8-7-13-27(31)23-24-37(39)47/h2*1-27H;1-26H
InChIKeyMANCBQIZHSTQRQ-UHFFFAOYSA-N
XLogP35.68
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001890.35
LogP ≤ 535.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-phenylbenzo[c]carbazole
CID 154968439
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158853186
12-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154968507
7-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 163778006
12-[4-(4-naphtho[2,1-b][1]benzothiol-5-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163523308
9-[4-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]carbazole
CID 129225566
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
4-(4,6-diphenylpyrimidin-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 139556200
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130265922
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
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole
CID 121289872
12-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163567792

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6ccccc6ccc54)cc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is MANCBQIZHSTQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H27N3S.C43H26N4S/c1-3-14-29(15-4-1)37-27-38(46-44(45-37)30-16-5-2-6-17-30)36-26-31(25-35-33-19-10-12-22-41(33)48-43(35)36)47-39-21-11-9-20-34(39)42-32-18-8-7-13-28(32)23-24-40(42)47;1-3-14-29(15-4-1)37-27-38(30-16-5-2-6-17-30)46-44(45-37)36-26-31(25-35-33-19-10-12-22-41(33)48-43(35)36)47-39-21-11-9-20-34(39)42-32-18-8-7-13-28(32)23-24-40(42)47;1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)35-26-30(25-34-32-19-10-12-22-38(32)48-40(34)35)47-36-21-11-9-20-33(36)39-31-18-8-7-13-27(31)23-24-37(39)47/h2*1-27H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 1890.35 g/mol, XLogP of 35.68, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163763843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).