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

C88H74N4 — CID 155761353

About 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

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 (PubChem CID 155761353) has the molecular formula C88H74N4 and a molecular weight of 1187.59 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 155761353
• Molecular Formula: C88H74N4
• Molecular Weight: 1187.59 g/mol
• Exact Mass: 1186.59
• IUPAC Name: 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
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1
• InChI: InChI=1S/C88H74N4/c1-51-37-55(5)84(56(6)38-51)65-28-33-79-72(45-65)73-46-66(85-57(7)39-52(2)40-58(85)8)29-34-80(73)91(79)78-26-20-19-25-70(78)71-32-27-69(88-89-76(63-21-15-13-16-22-63)50-77(90-88)64-23-17-14-18-24-64)49-83(71)92-81-35-30-67(86-59(9)41-53(3)42-60(86)10)47-74(81)75-48-68(31-36-82(75)92)87-61(11)43-54(4)44-62(87)12/h13-50H,1-12H3
• InChIKey: YMKPNHCZCKSROD-UHFFFAOYSA-N
• XLogP: 23.71
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.59
LogP ≤ 5	23.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.

What is the InChIKey of 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?

The InChIKey is YMKPNHCZCKSROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H74N4/c1-51-37-55(5)84(56(6)38-51)65-28-33-79-72(45-65)73-46-66(85-57(7)39-52(2)40-58(85)8)29-34-80(73)91(79)78-26-20-19-25-70(78)71-32-27-69(88-89-76(63-21-15-13-16-22-63)50-77(90-88)64-23-17-14-18-24-64)49-83(71)92-81-35-30-67(86-59(9)41-53(3)42-60(86)10)47-74(81)75-48-68(31-36-82(75)92)87-61(11)43-54(4)44-62(87)12/h13-50H,1-12H3.

What are the key properties of 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?

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 has a molecular weight of 1187.59 g/mol, XLogP of 23.71, 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(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 155761353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).