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

C163H109N11S3 — CID 160965207

IUPAC5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5sc6ccccc6c5c4)c3cc21
InChIInChI=1S/C55H37N3S.2C54H36N4S/c1-55(2)46-24-14-12-22-39(46)42-31-43-40-27-26-37(34-16-6-3-7-17-34)28-50(40)58(51(43)32-47(42)55)38-29-44-41-23-13-15-25-52(41)59-53(44)45(30-38)54-56-48(35-18-8-4-9-19-35)33-49(57-54)36-20-10-5-11-21-36;1-54(2)45-24-14-12-22-38(45)41-31-42-39-27-26-36(33-16-6-3-7-17-33)28-47(39)58(48(42)32-46(41)54)37-29-43-40-23-13-15-25-49(40)59-50(43)44(30-37)53-56-51(34-18-8-4-9-19-34)55-52(57-53)35-20-10-5-11-21-35;1-54(2)45-22-12-9-19-38(45)42-31-43-39-20-10-13-23-47(39)58(48(43)32-46(42)54)37-29-41(50-44(30-37)40-21-11-14-24-49(40)59-50)33-25-27-36(28-26-33)53-56-51(34-15-5-3-6-16-34)55-52(57-53)35-17-7-4-8-18-35/h3-33H,1-2H3;2*3-32H,1-2H3
InChIKeySXNKVAGDPCGAAP-UHFFFAOYSA-N
MW2317.94 g/mol
LogP43.54
Rot. Bonds15

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

5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 160965207) has the molecular formula C163H109N11S3 and a molecular weight of 2317.94 g/mol. Its IUPAC name is 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID160965207
Molecular FormulaC163H109N11S3
Molecular Weight2317.94 g/mol
Exact Mass2315.80
IUPAC Name5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5sc6ccccc6c5c4)c3cc21
InChIInChI=1S/C55H37N3S.2C54H36N4S/c1-55(2)46-24-14-12-22-39(46)42-31-43-40-27-26-37(34-16-6-3-7-17-34)28-50(40)58(51(43)32-47(42)55)38-29-44-41-23-13-15-25-52(41)59-53(44)45(30-38)54-56-48(35-18-8-4-9-19-35)33-49(57-54)36-20-10-5-11-21-36;1-54(2)45-24-14-12-22-38(45)41-31-42-39-27-26-36(33-16-6-3-7-17-33)28-47(39)58(48(42)32-46(41)54)37-29-43-40-23-13-15-25-49(40)59-50(43)44(30-37)53-56-51(34-18-8-4-9-19-34)55-52(57-53)35-20-10-5-11-21-35;1-54(2)45-22-12-9-19-38(45)42-31-43-39-20-10-13-23-47(39)58(48(43)32-46(42)54)37-29-41(50-44(30-37)40-21-11-14-24-49(40)59-50)33-25-27-36(28-26-33)53-56-51(34-15-5-3-6-16-34)55-52(57-53)35-17-7-4-8-18-35/h3-33H,1-2H3;2*3-32H,1-2H3
InChIKeySXNKVAGDPCGAAP-UHFFFAOYSA-N
XLogP43.54
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002317.94
LogP ≤ 543.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

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
7,7-dimethyl-5-[4-(2-phenylquinazolin-4-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole;5-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 158781059
2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 130264768
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
2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenyldibenzothiophen-2-yl)phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 157154828
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethylindeno[1,2-a]carbazole
CID 130265276
7,7-dimethyl-5-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-(3-phenylphenyl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
CID 162780764
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
7,7-dimethyl-5-[4-(5-methyl-4,6-diphenyl-4,5-dihydropyrimidin-2-yl)dibenzothiophen-2-yl]-3-phenylindeno[2,1-b]carbazole
CID 145238301
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
CID 130265385
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 166952811
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145306656

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 160965207) is 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccc(-c5ccccc5)cc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5sc6ccccc6c5c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5sc6ccccc6c5c4)c3cc21.
What is the InChIKey of 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is SXNKVAGDPCGAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3S.2C54H36N4S/c1-55(2)46-24-14-12-22-39(46)42-31-43-40-27-26-37(34-16-6-3-7-17-34)28-50(40)58(51(43)32-47(42)55)38-29-44-41-23-13-15-25-52(41)59-53(44)45(30-38)54-56-48(35-18-8-4-9-19-35)33-49(57-54)36-20-10-5-11-21-36;1-54(2)45-24-14-12-22-38(45)41-31-42-39-27-26-36(33-16-6-3-7-17-33)28-47(39)58(48(42)32-46(41)54)37-29-43-40-23-13-15-25-49(40)59-50(43)44(30-37)53-56-51(34-18-8-4-9-19-34)55-52(57-53)35-20-10-5-11-21-35;1-54(2)45-22-12-9-19-38(45)42-31-43-39-20-10-13-23-47(39)58(48(43)32-46(42)54)37-29-41(50-44(30-37)40-21-11-14-24-49(40)59-50)33-25-27-36(28-26-33)53-56-51(34-15-5-3-6-16-34)55-52(57-53)35-17-7-4-8-18-35/h3-33H,1-2H3;2*3-32H,1-2H3.
What are the key properties of 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 2317.94 g/mol, XLogP of 43.54, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 160965207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).