9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole

C46H30N4 — CID 169021296

IUPAC9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N4/c1-3-15-31(16-4-1)33-27-28-34(39(29-33)32-17-5-2-6-18-32)40-30-45(49-41-23-11-7-19-35(41)36-20-8-12-24-42(36)49)48-46(47-40)50-43-25-13-9-21-37(43)38-22-10-14-26-44(38)50/h1-30H
InChIKeyKDHWJVWCFGXZGO-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole

9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole (PubChem CID 169021296) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
PubChem CID169021296
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C46H30N4/c1-3-15-31(16-4-1)33-27-28-34(39(29-33)32-17-5-2-6-18-32)40-30-45(49-41-23-11-7-19-35(41)36-20-8-12-24-42(36)49)48-46(47-40)50-43-25-13-9-21-37(43)38-22-10-14-26-44(38)50/h1-30H
InChIKeyKDHWJVWCFGXZGO-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683
9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]naphthalen-1-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630673
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
CID 169031856
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 169031810
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-5-[diphenyl-(3-phenylphenyl)silyl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 169031891
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 159652525
3-[9-[4-(2,6-diphenylphenyl)-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236901
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole (CID 169021296) is 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole?
The InChIKey is KDHWJVWCFGXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-3-15-31(16-4-1)33-27-28-34(39(29-33)32-17-5-2-6-18-32)40-30-45(49-41-23-11-7-19-35(41)36-20-8-12-24-42(36)49)48-46(47-40)50-43-25-13-9-21-37(43)38-22-10-14-26-44(38)50/h1-30H.
What are the key properties of 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole?
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 169021296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).