4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole

C52H34N4 — CID 90321724

IUPAC4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5c(-c6ccccc6)ccc6c5c5ccccc5n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)40-31-32-48-51(43-26-14-16-28-47(43)55(48)39-23-11-4-12-24-39)50(40)38-29-30-42-41-25-13-15-27-46(41)56(49(42)33-38)52-53-44(36-19-7-2-8-20-36)34-45(54-52)37-21-9-3-10-22-37/h1-34H
InChIKeyTXYRCWKJJSHVQE-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole

4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole (PubChem CID 90321724) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole.

Molecular Properties

Compound Name4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole
PubChem CID90321724
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5c(-c6ccccc6)ccc6c5c5ccccc5n6-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)40-31-32-48-51(43-26-14-16-28-47(43)55(48)39-23-11-4-12-24-39)50(40)38-29-30-42-41-25-13-15-27-46(41)56(49(42)33-38)52-53-44(36-19-7-2-8-20-36)34-45(54-52)37-21-9-3-10-22-37/h1-34H
InChIKeyTXYRCWKJJSHVQE-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4,6-diphenylpyrimidin-2-yl)-2-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4,6-diphenylpyrimidin-2-yl)-3-phenyl-4-(9-phenylcarbazol-3-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-2-(9-phenylcarbazol-3-yl)carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159200284
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
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
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole?
The IUPAC name of 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole (CID 90321724) is 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole.
What is the SMILES notation for 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole?
The canonical SMILES for 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5c(-c6ccccc6)ccc6c5c5ccccc5n6-c5ccccc5)cc43)n2)cc1.
What is the InChIKey of 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole?
The InChIKey is TXYRCWKJJSHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-5-17-35(18-6-1)40-31-32-48-51(43-26-14-16-28-47(43)55(48)39-23-11-4-12-24-39)50(40)38-29-30-42-41-25-13-15-27-46(41)56(49(42)33-38)52-53-44(36-19-7-2-8-20-36)34-45(54-52)37-21-9-3-10-22-37/h1-34H.
What are the key properties of 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole?
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole is sourced from PubChem (CID 90321724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).