3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole

C61H47N3 — CID 129312108

About 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole

3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole (PubChem CID 129312108) has the molecular formula C61H47N3 and a molecular weight of 822.07 g/mol. Its IUPAC name is 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole
• PubChem CID: 129312108
• Molecular Formula: C61H47N3
• Molecular Weight: 822.07 g/mol
• Exact Mass: 821.38
• IUPAC Name: 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C6NC(c7ccccc7)=CC(c7ccccc7)N6)c5)c4)cc3)cc21
• InChI: InChI=1S/C61H47N3/c1-61(2)54-25-11-9-23-50(54)51-33-31-47(38-55(51)61)41-29-27-40(28-30-41)44-19-13-20-45(35-44)46-32-34-59-53(37-46)52-24-10-12-26-58(52)64(59)49-22-14-21-48(36-49)60-62-56(42-15-5-3-6-16-42)39-57(63-60)43-17-7-4-8-18-43/h3-39,56,60,62-63H,1-2H3
• InChIKey: CCDCLIGQGZNOFR-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 28.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.07
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?

The IUPAC name of 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole (CID 129312108) is 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole.

What is the SMILES notation for 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?

The canonical SMILES for 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(C6NC(c7ccccc7)=CC(c7ccccc7)N6)c5)c4)cc3)cc21.

What is the InChIKey of 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?

The InChIKey is CCDCLIGQGZNOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N3/c1-61(2)54-25-11-9-23-50(54)51-33-31-47(38-55(51)61)41-29-27-40(28-30-41)44-19-13-20-45(35-44)46-32-34-59-53(37-46)52-24-10-12-26-58(52)64(59)49-22-14-21-48(36-49)60-62-56(42-15-5-3-6-16-42)39-57(63-60)43-17-7-4-8-18-43/h3-39,56,60,62-63H,1-2H3.

What are the key properties of 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?

3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole has a molecular weight of 822.07 g/mol, XLogP of 15.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-[3-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 129312108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).