5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole

C53H38N2 — CID 145080103

About 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole

5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole (PubChem CID 145080103) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole
• PubChem CID: 145080103
• Molecular Formula: C53H38N2
• Molecular Weight: 702.90 g/mol
• Exact Mass: 702.30
• IUPAC Name: 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)ccc1n3-c1ccc2c(c1)CCC=C2
• InChI: InChI=1S/C53H38N2/c1-53(2)47-17-9-7-15-41(47)43-32-52-46(31-48(43)53)45-30-38(22-26-51(45)55(52)40-24-20-34-12-4-6-14-36(34)28-40)37-21-25-50-44(29-37)42-16-8-10-18-49(42)54(50)39-23-19-33-11-3-5-13-35(33)27-39/h3-5,7-13,15-32H,6,14H2,1-2H3
• InChIKey: DBFDYGRJLPZVJG-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.90
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole?

The IUPAC name of 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole (CID 145080103) is 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole.

What is the SMILES notation for 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole?

The canonical SMILES for 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccc4ccccc4c2)ccc1n3-c1ccc2c(c1)CCC=C2.

What is the InChIKey of 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole?

The InChIKey is DBFDYGRJLPZVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-53(2)47-17-9-7-15-41(47)43-32-52-46(31-48(43)53)45-30-38(22-26-51(45)55(52)40-24-20-34-12-4-6-14-36(34)28-40)37-21-25-50-44(29-37)42-16-8-10-18-49(42)54(50)39-23-19-33-11-3-5-13-35(33)27-39/h3-5,7-13,15-32H,6,14H2,1-2H3.

What are the key properties of 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole?

5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole has a molecular weight of 702.90 g/mol, XLogP of 13.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7,8-dihydronaphthalen-2-yl)-11,11-dimethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]carbazole is sourced from PubChem (CID 145080103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).