2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole

C52H36N4 — CID 163936410

IUPAC2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
SMILESC1=Cc2c(n(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C52H36N4/c1-4-16-35(17-5-1)45-34-46(54-52(53-45)36-18-6-2-7-19-36)43-24-12-15-27-49(43)56-48-26-14-11-23-41(48)44-32-37(29-31-50(44)56)38-28-30-42-40-22-10-13-25-47(40)55(51(42)33-38)39-20-8-3-9-21-39/h1-13,15-25,27-34H,14,26H2
InChIKeyRNEYWUYUUNGBCJ-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.15
Rot. Bonds6

About 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole

2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole (PubChem CID 163936410) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
PubChem CID163936410
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
SMILESC1=Cc2c(n(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1
InChIInChI=1S/C52H36N4/c1-4-16-35(17-5-1)45-34-46(54-52(53-45)36-18-6-2-7-19-36)43-24-12-15-27-49(43)56-48-26-14-11-23-41(48)44-32-37(29-31-50(44)56)38-28-30-42-40-22-10-13-25-47(40)55(51(42)33-38)39-20-8-3-9-21-39/h1-13,15-25,27-34H,14,26H2
InChIKeyRNEYWUYUUNGBCJ-UHFFFAOYSA-N
XLogP13.15
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 163569923
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 158761140
2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160933001
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762

Frequently Asked Questions

What is the IUPAC name of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole (CID 163936410) is 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole is C1=Cc2c(n(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc23)CC1.
What is the InChIKey of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
The InChIKey is RNEYWUYUUNGBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-4-16-35(17-5-1)45-34-46(54-52(53-45)36-18-6-2-7-19-36)43-24-12-15-27-49(43)56-48-26-14-11-23-41(48)44-32-37(29-31-50(44)56)38-28-30-42-40-22-10-13-25-47(40)55(51(42)33-38)39-20-8-3-9-21-39/h1-13,15-25,27-34H,14,26H2.
What are the key properties of 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole?
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole has a molecular weight of 716.89 g/mol, XLogP of 13.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 163936410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).