9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole

C84H66N4 — CID 155462602

IUPAC9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2)c1
InChIInChI=1S/C84H66N4/c1-51-32-52(2)37-67(36-51)61-22-27-80-73(45-61)74-46-62(68-38-53(3)33-54(4)39-68)23-28-81(74)87(80)71-21-15-20-65(44-71)72-49-66(84-85-77(59-16-11-9-12-17-59)50-78(86-84)60-18-13-10-14-19-60)26-31-79(72)88-82-29-24-63(69-40-55(5)34-56(6)41-69)47-75(82)76-48-64(25-30-83(76)88)70-42-57(7)35-58(8)43-70/h9-50H,1-8H3
InChIKeyXCLZEJGVJHJQLS-UHFFFAOYSA-N
MW1131.48 g/mol
LogP22.47
Rot. Bonds10

About 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole

9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (PubChem CID 155462602) has the molecular formula C84H66N4 and a molecular weight of 1131.48 g/mol. Its IUPAC name is 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
PubChem CID155462602
Molecular FormulaC84H66N4
Molecular Weight1131.48 g/mol
Exact Mass1130.53
IUPAC Name9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2)c1
InChIInChI=1S/C84H66N4/c1-51-32-52(2)37-67(36-51)61-22-27-80-73(45-61)74-46-62(68-38-53(3)33-54(4)39-68)23-28-81(74)87(80)71-21-15-20-65(44-71)72-49-66(84-85-77(59-16-11-9-12-17-59)50-78(86-84)60-18-13-10-14-19-60)26-31-79(72)88-82-29-24-63(69-40-55(5)34-56(6)41-69)47-75(82)76-48-64(25-30-83(76)88)70-42-57(7)35-58(8)43-70/h9-50H,1-8H3
InChIKeyXCLZEJGVJHJQLS-UHFFFAOYSA-N
XLogP22.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.48
LogP ≤ 522.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(3,5-dimethylphenyl)carbazole
CID 155761359
9-[3-[2-(3,6-diphenylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 155463206
9-[2-(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155463257
3,6-bis(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137420940
9-[2-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 162500791
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole;3-(3,5-dimethylphenyl)-9-[3-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;3-(2,4-dimethylphenyl)-9-[3-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 158774170
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 137414558
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155462813
2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155462902
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 137420844

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
The IUPAC name of 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole (CID 155462602) is 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
The canonical SMILES for 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2)c1.
What is the InChIKey of 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
The InChIKey is XCLZEJGVJHJQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66N4/c1-51-32-52(2)37-67(36-51)61-22-27-80-73(45-61)74-46-62(68-38-53(3)33-54(4)39-68)23-28-81(74)87(80)71-21-15-20-65(44-71)72-49-66(84-85-77(59-16-11-9-12-17-59)50-78(86-84)60-18-13-10-14-19-60)26-31-79(72)88-82-29-24-63(69-40-55(5)34-56(6)41-69)47-75(82)76-48-64(25-30-83(76)88)70-42-57(7)35-58(8)43-70/h9-50H,1-8H3.
What are the key properties of 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole?
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole has a molecular weight of 1131.48 g/mol, XLogP of 22.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 155462602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).