2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole

C116H76N8 — CID 157082857

IUPAC2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c3)n2)cc1
InChIInChI=1S/2C58H38N4/c1-4-16-40(17-5-1)51-38-52(41-18-6-2-7-19-41)60-58(59-51)44-21-14-20-42(36-44)43-32-35-55-50(37-43)48-24-10-12-27-53(48)61(55)46-33-30-39(31-34-46)47-26-15-29-56-57(47)49-25-11-13-28-54(49)62(56)45-22-8-3-9-23-45;1-4-15-40(16-5-1)52-38-53(41-17-6-2-7-18-41)60-58(59-52)45-20-14-19-42(35-45)43-30-34-56-51(36-43)49-24-11-13-26-55(49)61(56)47-31-27-39(28-32-47)44-29-33-50-48-23-10-12-25-54(48)62(57(50)37-44)46-21-8-3-9-22-46/h2*1-38H
InChIKeyADTFUCDCQNHEDF-UHFFFAOYSA-N
MW1581.94 g/mol
LogP30.01
Rot. Bonds14

About 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole

2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole (PubChem CID 157082857) has the molecular formula C116H76N8 and a molecular weight of 1581.94 g/mol. Its IUPAC name is 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
PubChem CID157082857
Molecular FormulaC116H76N8
Molecular Weight1581.94 g/mol
Exact Mass1580.62
IUPAC Name2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c3)n2)cc1
InChIInChI=1S/2C58H38N4/c1-4-16-40(17-5-1)51-38-52(41-18-6-2-7-19-41)60-58(59-51)44-21-14-20-42(36-44)43-32-35-55-50(37-43)48-24-10-12-27-53(48)61(55)46-33-30-39(31-34-46)47-26-15-29-56-57(47)49-25-11-13-28-54(49)62(56)45-22-8-3-9-23-45;1-4-15-40(16-5-1)52-38-53(41-17-6-2-7-18-41)60-58(59-52)45-20-14-19-42(35-45)43-30-34-56-51(36-43)49-24-11-13-26-55(49)61(56)47-31-27-39(28-32-47)44-29-33-50-48-23-10-12-25-54(48)62(57(50)37-44)46-21-8-3-9-22-46/h2*1-38H
InChIKeyADTFUCDCQNHEDF-UHFFFAOYSA-N
XLogP30.01
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.94
LogP ≤ 530.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole with MolForge

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Related Compounds

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
9-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
3-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;4-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 159581525
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole?
The IUPAC name of 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole (CID 157082857) is 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole.
What is the SMILES notation for 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole?
The canonical SMILES for 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c3)n2)cc1.
What is the InChIKey of 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole?
The InChIKey is ADTFUCDCQNHEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H38N4/c1-4-16-40(17-5-1)51-38-52(41-18-6-2-7-19-41)60-58(59-51)44-21-14-20-42(36-44)43-32-35-55-50(37-43)48-24-10-12-27-53(48)61(55)46-33-30-39(31-34-46)47-26-15-29-56-57(47)49-25-11-13-28-54(49)62(56)45-22-8-3-9-23-45;1-4-15-40(16-5-1)52-38-53(41-17-6-2-7-18-41)60-58(59-52)45-20-14-19-42(35-45)43-30-34-56-51(36-43)49-24-11-13-26-55(49)61(56)47-31-27-39(28-32-47)44-29-33-50-48-23-10-12-25-54(48)62(57(50)37-44)46-21-8-3-9-22-46/h2*1-38H.
What are the key properties of 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole?
2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole has a molecular weight of 1581.94 g/mol, XLogP of 30.01, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole is sourced from PubChem (CID 157082857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).