3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole

C67H48N4 — CID 146280880

IUPAC3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1
InChIInChI=1S/C67H48N4/c1-43-36-44(2)65(45(3)37-43)50-32-34-63-57(38-50)58-41-52(70-61-30-18-16-28-53(61)54-29-17-19-31-62(54)70)33-35-64(58)71(63)66-55(46-20-8-4-9-21-46)39-51(40-56(66)47-22-10-5-11-23-47)67-68-59(48-24-12-6-13-25-48)42-60(69-67)49-26-14-7-15-27-49/h4-42H,1-3H3
InChIKeyIWUAKGWRNLNARF-UHFFFAOYSA-N
MW909.15 g/mol
LogP17.60
Rot. Bonds8

About 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole

3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 146280880) has the molecular formula C67H48N4 and a molecular weight of 909.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
PubChem CID146280880
Molecular FormulaC67H48N4
Molecular Weight909.15 g/mol
Exact Mass908.39
IUPAC Name3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1
InChIInChI=1S/C67H48N4/c1-43-36-44(2)65(45(3)37-43)50-32-34-63-57(38-50)58-41-52(70-61-30-18-16-28-53(61)54-29-17-19-31-62(54)70)33-35-64(58)71(63)66-55(46-20-8-4-9-21-46)39-51(40-56(66)47-22-10-5-11-23-47)67-68-59(48-24-12-6-13-25-48)42-60(69-67)49-26-14-7-15-27-49/h4-42H,1-3H3
InChIKeyIWUAKGWRNLNARF-UHFFFAOYSA-N
XLogP17.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.15
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 161070492
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146281302
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823
9-[2,6-diphenyl-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylcarbazole
CID 146280804
2,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280663
2-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146280978
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159949401
3-carbazol-9-yl-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,5-dimethylphenyl]carbazole
CID 126730398

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole (CID 146280880) is 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-c2ccccc2)c(C)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is IWUAKGWRNLNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N4/c1-43-36-44(2)65(45(3)37-43)50-32-34-63-57(38-50)58-41-52(70-61-30-18-16-28-53(61)54-29-17-19-31-62(54)70)33-35-64(58)71(63)66-55(46-20-8-4-9-21-46)39-51(40-56(66)47-22-10-5-11-23-47)67-68-59(48-24-12-6-13-25-48)42-60(69-67)49-26-14-7-15-27-49/h4-42H,1-3H3.
What are the key properties of 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole?
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 909.15 g/mol, XLogP of 17.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 146280880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).