9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

C68H50N4 — CID 155463382

IUPAC9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C68H50N4/c1-43-30-34-51(45(3)38-43)49-32-36-64-57(40-49)58-41-50(52-35-31-44(2)39-46(52)4)33-37-65(58)72(64)66-29-17-25-56(68-69-59(47-18-7-5-8-19-47)42-60(70-68)48-20-9-6-10-21-48)67(66)55-24-13-16-28-63(55)71-61-26-14-11-22-53(61)54-23-12-15-27-62(54)71/h5-42H,1-4H3
InChIKeySMPQGHJRDMIMQP-UHFFFAOYSA-N
MW923.18 g/mol
LogP17.91
Rot. Bonds8

About 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole

9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (PubChem CID 155463382) has the molecular formula C68H50N4 and a molecular weight of 923.18 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
PubChem CID155463382
Molecular FormulaC68H50N4
Molecular Weight923.18 g/mol
Exact Mass922.40
IUPAC Name9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C68H50N4/c1-43-30-34-51(45(3)38-43)49-32-36-64-57(40-49)58-41-50(52-35-31-44(2)39-46(52)4)33-37-65(58)72(64)66-29-17-25-56(68-69-59(47-18-7-5-8-19-47)42-60(70-68)48-20-9-6-10-21-48)67(66)55-24-13-16-28-63(55)71-61-26-14-11-22-53(61)54-23-12-15-27-62(54)71/h5-42H,1-4H3
InChIKeySMPQGHJRDMIMQP-UHFFFAOYSA-N
XLogP17.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.18
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522
9-[2-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 158928148
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 161317622
3-(2,4-dimethylphenyl)-9-[2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-2-ylphenyl]carbazole
CID 142597636
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155462612
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463376
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
CID 137421078
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 158364667
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 155463188

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (CID 155463382) is 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C)c1.
What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The InChIKey is SMPQGHJRDMIMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N4/c1-43-30-34-51(45(3)38-43)49-32-36-64-57(40-49)58-41-50(52-35-31-44(2)39-46(52)4)33-37-65(58)72(64)66-29-17-25-56(68-69-59(47-18-7-5-8-19-47)42-60(70-68)48-20-9-6-10-21-48)67(66)55-24-13-16-28-63(55)71-61-26-14-11-22-53(61)54-23-12-15-27-62(54)71/h5-42H,1-4H3.
What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole has a molecular weight of 923.18 g/mol, XLogP of 17.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 155463382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).