3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole

C109H69N11 — CID 160511524

IUPAC3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6cccc7cnccc67)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6nccc7ccccc67)cccc54)cc3)n2)cc1
InChIInChI=1S/C55H35N5.C54H34N6/c1-3-13-36(14-4-1)47-34-48(58-55(57-47)38-15-5-2-6-16-38)37-25-28-41(29-26-37)59-51-22-10-8-19-45(51)54-43(20-12-24-53(54)59)39-27-30-52-46(33-39)44-18-7-9-21-50(44)60(52)49-23-11-17-40-35-56-32-31-42(40)49;1-3-15-36(16-4-1)51-56-52(37-17-5-2-6-18-37)58-53(57-51)38-26-29-40(30-27-38)59-47-24-12-10-21-44(47)50-41(22-13-25-49(50)59)39-28-31-48-45(34-39)43-20-9-11-23-46(43)60(48)54-42-19-8-7-14-35(42)32-33-55-54/h1-35H;1-34H
InChIKeyQTCKKLSVLLGENR-UHFFFAOYSA-N
MW1532.83 g/mol
LogP27.17
Rot. Bonds12

About 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole

3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole (PubChem CID 160511524) has the molecular formula C109H69N11 and a molecular weight of 1532.83 g/mol. Its IUPAC name is 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole
PubChem CID160511524
Molecular FormulaC109H69N11
Molecular Weight1532.83 g/mol
Exact Mass1531.57
IUPAC Name3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6cccc7cnccc67)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6nccc7ccccc67)cccc54)cc3)n2)cc1
InChIInChI=1S/C55H35N5.C54H34N6/c1-3-13-36(14-4-1)47-34-48(58-55(57-47)38-15-5-2-6-16-38)37-25-28-41(29-26-37)59-51-22-10-8-19-45(51)54-43(20-12-24-53(54)59)39-27-30-52-46(33-39)44-18-7-9-21-50(44)60(52)49-23-11-17-40-35-56-32-31-42(40)49;1-3-15-36(16-4-1)51-56-52(37-17-5-2-6-18-37)58-53(57-51)38-26-29-40(30-27-38)59-47-24-12-10-21-44(47)50-41(22-13-25-49(50)59)39-28-31-48-45(34-39)43-20-9-11-23-46(43)60(48)54-42-19-8-7-14-35(42)32-33-55-54/h1-35H;1-34H
InChIKeyQTCKKLSVLLGENR-UHFFFAOYSA-N
XLogP27.17
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001532.83
LogP ≤ 527.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole with MolForge

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Related Compounds

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-7-phenylbenzo[c]carbazole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole
CID 160795339
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole;9-phenyl-6-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[3,4-b]indole
CID 161163383
6-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 157443985
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[4-[9-(1,6-naphthyridin-8-yl)carbazol-4-yl]phenyl]carbazole
CID 118149543
4-(3,5-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-9-naphthalen-1-yl-3-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-9-(9-phenylcarbazol-3-yl)carbazole;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-5-phenylcarbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-3-phenylcarbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 160696707
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;9-phenyl-5-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[2,3-b]indole
CID 159241649
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
1-[4-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-[2-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 160899736
2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 159138850

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole?
The IUPAC name of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole (CID 160511524) is 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole.
What is the SMILES notation for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole?
The canonical SMILES for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6cccc7cnccc67)cccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)c6ccccc6n7-c6nccc7ccccc67)cccc54)cc3)n2)cc1.
What is the InChIKey of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole?
The InChIKey is QTCKKLSVLLGENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5.C54H34N6/c1-3-13-36(14-4-1)47-34-48(58-55(57-47)38-15-5-2-6-16-38)37-25-28-41(29-26-37)59-51-22-10-8-19-45(51)54-43(20-12-24-53(54)59)39-27-30-52-46(33-39)44-18-7-9-21-50(44)60(52)49-23-11-17-40-35-56-32-31-42(40)49;1-3-15-36(16-4-1)51-56-52(37-17-5-2-6-18-37)58-53(57-51)38-26-29-40(30-27-38)59-47-24-12-10-21-44(47)50-41(22-13-25-49(50)59)39-28-31-48-45(34-39)43-20-9-11-23-46(43)60(48)54-42-19-8-7-14-35(42)32-33-55-54/h1-35H;1-34H.
What are the key properties of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole?
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole has a molecular weight of 1532.83 g/mol, XLogP of 27.17, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-4-yl]-9-isoquinolin-5-ylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-isoquinolin-1-ylcarbazole is sourced from PubChem (CID 160511524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).