2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole

C51H38N2 — CID 144579058

About 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole

2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole (PubChem CID 144579058) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole.

Molecular Properties

• Compound Name: 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
• PubChem CID: 144579058
• Molecular Formula: C51H38N2
• Molecular Weight: 678.88 g/mol
• Exact Mass: 678.30
• IUPAC Name: 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(C7=CC=C(c8ccccc8)CC7)c6c5)ccc43)cc21
• InChI: InChI=1S/C51H38N2/c1-51(2)45-17-9-6-14-39(45)40-28-26-38(32-46(40)51)53-48-19-11-8-16-42(48)44-30-35(23-29-49(44)53)36-22-27-43-41-15-7-10-18-47(41)52(50(43)31-36)37-24-20-34(21-25-37)33-12-4-3-5-13-33/h3-20,22-24,26-32H,21,25H2,1-2H3
• InChIKey: PZEOTBLPHSVWML-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.88
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?

The IUPAC name of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole (CID 144579058) is 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole.

What is the SMILES notation for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?

The canonical SMILES for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(C7=CC=C(c8ccccc8)CC7)c6c5)ccc43)cc21.

What is the InChIKey of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?

The InChIKey is PZEOTBLPHSVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)45-17-9-6-14-39(45)40-28-26-38(32-46(40)51)53-48-19-11-8-16-42(48)44-30-35(23-29-49(44)53)36-22-27-43-41-15-7-10-18-47(41)52(50(43)31-36)37-24-20-34(21-25-37)33-12-4-3-5-13-33/h3-20,22-24,26-32H,21,25H2,1-2H3.

What are the key properties of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole?

2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole has a molecular weight of 678.88 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylcyclohexa-1,3-dien-1-yl)carbazole is sourced from PubChem (CID 144579058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).