9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole

C61H45N3 — CID 164948626

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole
SMILESCC(C)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C61H45N3/c1-41(2)42-28-30-46(31-29-42)53-39-51(57-40-56(47-24-14-6-15-25-47)62-61(63-57)48-26-16-7-17-27-48)38-52(45-22-12-5-13-23-45)60(53)64-58-34-32-49(43-18-8-3-9-19-43)36-54(58)55-37-50(33-35-59(55)64)44-20-10-4-11-21-44/h3-41H,1-2H3
InChIKeyUMIWFXCQZNDFAD-UHFFFAOYSA-N
MW820.05 g/mol
LogP16.37
Rot. Bonds9

About 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole

9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole (PubChem CID 164948626) has the molecular formula C61H45N3 and a molecular weight of 820.05 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole
PubChem CID164948626
Molecular FormulaC61H45N3
Molecular Weight820.05 g/mol
Exact Mass819.36
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole
SMILESCC(C)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C61H45N3/c1-41(2)42-28-30-46(31-29-42)53-39-51(57-40-56(47-24-14-6-15-25-47)62-61(63-57)48-26-16-7-17-27-48)38-52(45-22-12-5-13-23-45)60(53)64-58-34-32-49(43-18-8-3-9-19-43)36-54(58)55-37-50(33-35-59(55)64)44-20-10-4-11-21-44/h3-41H,1-2H3
InChIKeyUMIWFXCQZNDFAD-UHFFFAOYSA-N
XLogP16.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.05
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
4-[3-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155446971
9-[4-(3,6-diphenylcarbazol-9-yl)-2,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138701287
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
3-[9-[2,6-bis(3-cyanophenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155446815
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159949401
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole (CID 164948626) is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole is CC(C)c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccccc3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole?
The InChIKey is UMIWFXCQZNDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N3/c1-41(2)42-28-30-46(31-29-42)53-39-51(57-40-56(47-24-14-6-15-25-47)62-61(63-57)48-26-16-7-17-27-48)38-52(45-22-12-5-13-23-45)60(53)64-58-34-32-49(43-18-8-3-9-19-43)36-54(58)55-37-50(33-35-59(55)64)44-20-10-4-11-21-44/h3-41H,1-2H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole?
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole has a molecular weight of 820.05 g/mol, XLogP of 16.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenyl-6-(4-propan-2-ylphenyl)phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 164948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).