9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole

C85H53N9 — CID 88557966

IUPAC9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)nc8)nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)n7)cc6)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cccc2c1
InChIInChI=1S/C85H53N9/c1-5-23-78-68(17-1)69-18-2-6-24-79(69)93(78)65-44-39-62(40-45-65)84-89-74(51-75(90-84)59-37-31-56(32-38-59)67-21-9-13-60-15-11-49-86-82(60)67)57-33-27-54(28-34-57)55-29-35-58(36-30-55)76-52-77(64-43-48-73(88-53-64)72-22-10-14-61-16-12-50-87-83(61)72)92-85(91-76)63-41-46-66(47-42-63)94-80-25-7-3-19-70(80)71-20-4-8-26-81(71)94/h1-53H
InChIKeyDQLXQSWABPMBFA-UHFFFAOYSA-N
MW1200.42 g/mol
LogP20.96
Rot. Bonds11

About 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole

9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole (PubChem CID 88557966) has the molecular formula C85H53N9 and a molecular weight of 1200.42 g/mol. Its IUPAC name is 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole
PubChem CID88557966
Molecular FormulaC85H53N9
Molecular Weight1200.42 g/mol
Exact Mass1199.44
IUPAC Name9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)nc8)nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)n7)cc6)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cccc2c1
InChIInChI=1S/C85H53N9/c1-5-23-78-68(17-1)69-18-2-6-24-79(69)93(78)65-44-39-62(40-45-65)84-89-74(51-75(90-84)59-37-31-56(32-38-59)67-21-9-13-60-15-11-49-86-82(60)67)57-33-27-54(28-34-57)55-29-35-58(36-30-55)76-52-77(64-43-48-73(88-53-64)72-22-10-14-61-16-12-50-87-83(61)72)92-85(91-76)63-41-46-66(47-42-63)94-80-25-7-3-19-70(80)71-20-4-8-26-81(71)94/h1-53H
InChIKeyDQLXQSWABPMBFA-UHFFFAOYSA-N
XLogP20.96
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.42
LogP ≤ 520.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-quinolin-3-ylpyrimidin-4-yl]phenyl]phenyl]-6-quinolin-3-ylpyrimidin-2-yl]phenyl]carbazole;8-[4-[4-[4-[2,6-di(quinolin-8-yl)pyrimidin-4-yl]phenyl]phenyl]-6-(4-quinolin-8-ylphenyl)pyrimidin-2-yl]quinoline;8-[2-naphthalen-2-yl-6-[4-[4-[2-naphthalen-2-yl-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 158208196
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 155023382
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
9-[4-[2-[4-[4-[4-(4-carbazol-9-ylphenyl)-6-(4-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 88557862
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[5-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]-2-pyridinyl]quinoline
CID 118372253
9-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258076
2,4-bis(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;4-(3,5-diphenylphenyl)-2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidine;9-[3-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[2-phenyl-6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]pyrimidin-4-yl]phenyl]carbazole
CID 165110893
9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422816
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
4-(4-carbazol-9-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 155249389

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole (CID 88557966) is 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole is c1cnc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7cc(-c8ccc(-c9cccc%10cccnc9%10)nc8)nc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)n7)cc6)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cc3)cccc2c1.
What is the InChIKey of 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is DQLXQSWABPMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H53N9/c1-5-23-78-68(17-1)69-18-2-6-24-79(69)93(78)65-44-39-62(40-45-65)84-89-74(51-75(90-84)59-37-31-56(32-38-59)67-21-9-13-60-15-11-49-86-82(60)67)57-33-27-54(28-34-57)55-29-35-58(36-30-55)76-52-77(64-43-48-73(88-53-64)72-22-10-14-61-16-12-50-87-83(61)72)92-85(91-76)63-41-46-66(47-42-63)94-80-25-7-3-19-70(80)71-20-4-8-26-81(71)94/h1-53H.
What are the key properties of 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole?
9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1200.42 g/mol, XLogP of 20.96, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 88557966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).