5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

C124H85N11S — CID 160957754

IUPAC5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)n2)cc1
InChIInChI=1S/2C42H30N4.C40H25N3S/c1-42(2)35-21-13-12-20-31(35)32-25-34-33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38(34)26-36(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28;1-3-11-26(12-4-1)33-25-34(27-13-5-2-6-14-27)42-40(41-33)28-19-21-29(22-20-28)43-35-17-9-7-16-32(35)38-36(43)24-23-31-30-15-8-10-18-37(30)44-39(31)38/h2*3-26H,1-2H3;1-25H
InChIKeySWPPDPOCEOIVCS-UHFFFAOYSA-N
MW1761.19 g/mol
LogP31.49
Rot. Bonds12

About 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 160957754) has the molecular formula C124H85N11S and a molecular weight of 1761.19 g/mol. Its IUPAC name is 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID160957754
Molecular FormulaC124H85N11S
Molecular Weight1761.19 g/mol
Exact Mass1759.67
IUPAC Name5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)n2)cc1
InChIInChI=1S/2C42H30N4.C40H25N3S/c1-42(2)35-21-13-12-20-31(35)32-25-34-33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38(34)26-36(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28;1-3-11-26(12-4-1)33-25-34(27-13-5-2-6-14-27)42-40(41-33)28-19-21-29(22-20-28)43-35-17-9-7-16-32(35)38-36(43)24-23-31-30-15-8-10-18-37(30)44-39(31)38/h2*3-26H,1-2H3;1-25H
InChIKeySWPPDPOCEOIVCS-UHFFFAOYSA-N
XLogP31.49
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.19
LogP ≤ 531.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157086336
7,7-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;4-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-[1]benzothiolo[3,2-b]carbazole;5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159415052
5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134569448
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
10-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole;3-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 158568095
6-[4-[9-[9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]carbazol-9-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 170224536
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 164991274
5-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121465317
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 160957754) is 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is SWPPDPOCEOIVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H30N4.C40H25N3S/c1-42(2)35-21-13-12-20-31(35)32-25-34-33-24-30(27-14-6-3-7-15-27)22-23-37(33)46(38(34)26-36(32)42)41-44-39(28-16-8-4-9-17-28)43-40(45-41)29-18-10-5-11-19-29;1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28;1-3-11-26(12-4-1)33-25-34(27-13-5-2-6-14-27)42-40(41-33)28-19-21-29(22-20-28)43-35-17-9-7-16-32(35)38-36(43)24-23-31-30-15-8-10-18-37(30)44-39(31)38/h2*3-26H,1-2H3;1-25H.
What are the key properties of 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1761.19 g/mol, XLogP of 31.49, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 160957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).