1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole

C58H38N4 — CID 118149305

IUPAC1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-15-41(16-5-1)52-38-53(60-58(59-52)43-17-6-2-7-18-43)42-29-27-39(28-30-42)44-33-36-56-51(37-44)49-22-11-12-25-54(49)61(56)46-34-31-40(32-35-46)47-23-14-24-50-48-21-10-13-26-55(48)62(57(47)50)45-19-8-3-9-20-45/h1-38H
InChIKeyPJGSZBTWFTWGTB-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.01
Rot. Bonds7

About 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole

1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole (PubChem CID 118149305) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
PubChem CID118149305
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-15-41(16-5-1)52-38-53(60-58(59-52)43-17-6-2-7-18-43)42-29-27-39(28-30-42)44-33-36-56-51(37-44)49-22-11-12-25-54(49)61(56)46-34-31-40(32-35-46)47-23-14-24-50-48-21-10-13-26-55(48)62(57(47)50)45-19-8-3-9-20-45/h1-38H
InChIKeyPJGSZBTWFTWGTB-UHFFFAOYSA-N
XLogP15.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149319
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
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
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-phenyl-3-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237307
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
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287137

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole (CID 118149305) is 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The InChIKey is PJGSZBTWFTWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-15-41(16-5-1)52-38-53(60-58(59-52)43-17-6-2-7-18-43)42-29-27-39(28-30-42)44-33-36-56-51(37-44)49-22-11-12-25-54(49)61(56)46-34-31-40(32-35-46)47-23-14-24-50-48-21-10-13-26-55(48)62(57(47)50)45-19-8-3-9-20-45/h1-38H.
What are the key properties of 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole has a molecular weight of 790.97 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118149305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).