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

C84H66N4 — CID 155462813

IUPAC9-[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
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/C84H66N4/c1-51-33-52(2)38-66(37-51)61-24-29-79-72(45-61)73-46-62(67-39-53(3)34-54(4)40-67)25-30-80(73)87(79)78-22-16-15-21-70(78)71-28-23-65(77-50-76(59-17-11-9-12-18-59)85-84(86-77)60-19-13-10-14-20-60)49-83(71)88-81-31-26-63(68-41-55(5)35-56(6)42-68)47-74(81)75-48-64(27-32-82(75)88)69-43-57(7)36-58(8)44-69/h9-50H,1-8H3
InChIKeyLDXDGKPJZYEUKV-UHFFFAOYSA-N
MW1131.48 g/mol
LogP22.47
Rot. Bonds10

About 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

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 (PubChem CID 155462813) has the molecular formula C84H66N4 and a molecular weight of 1131.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID155462813
Molecular FormulaC84H66N4
Molecular Weight1131.48 g/mol
Exact Mass1130.53
IUPAC Name9-[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
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1
InChIInChI=1S/C84H66N4/c1-51-33-52(2)38-66(37-51)61-24-29-79-72(45-61)73-46-62(67-39-53(3)34-54(4)40-67)25-30-80(73)87(79)78-22-16-15-21-70(78)71-28-23-65(77-50-76(59-17-11-9-12-18-59)85-84(86-77)60-19-13-10-14-20-60)49-83(71)88-81-31-26-63(68-41-55(5)35-56(6)42-68)47-74(81)75-48-64(27-32-82(75)88)69-43-57(7)36-58(8)44-69/h9-50H,1-8H3
InChIKeyLDXDGKPJZYEUKV-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

Analyze 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 with MolForge

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-(2,6-diphenylpyrimidin-4-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161474942
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155761353
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
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-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
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-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155462612
3-(3,5-dimethylphenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 137414549
9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(3,5-dimethylphenyl)carbazole
CID 155761359
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155463041
4-[9-[2-[2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155463043
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169059921

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is LDXDGKPJZYEUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66N4/c1-51-33-52(2)38-66(37-51)61-24-29-79-72(45-61)73-46-62(67-39-53(3)34-54(4)40-67)25-30-80(73)87(79)78-22-16-15-21-70(78)71-28-23-65(77-50-76(59-17-11-9-12-18-59)85-84(86-77)60-19-13-10-14-20-60)49-83(71)88-81-31-26-63(68-41-55(5)35-56(6)42-68)47-74(81)75-48-64(27-32-82(75)88)69-43-57(7)36-58(8)44-69/h9-50H,1-8H3.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 155462813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).