9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene

C71H65N — CID 144639950

About 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene

9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene (PubChem CID 144639950) has the molecular formula C71H65N and a molecular weight of 932.31 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene
• PubChem CID: 144639950
• Molecular Formula: C71H65N
• Molecular Weight: 932.31 g/mol
• Exact Mass: 931.51
• IUPAC Name: 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene
• SMILES: CC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(C)(C)c2ccccc2-3)c1
• InChI: InChI=1S/C40H31N.C16H16.C13H12.C2H6/c1-26-12-4-5-15-30(26)29-14-10-13-27(24-29)28-22-23-37-34(25-28)32-17-7-9-20-36(32)41(37)38-21-11-18-33-31-16-6-8-19-35(31)40(2,3)39(33)38;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h4-25H,1-3H3;4-10H,1-3H3;2-10H,1H3;1-2H3
• InChIKey: WQCXDMCPARLLIG-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.31
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene?

The IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene (CID 144639950) is 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene?

The canonical SMILES for 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene is CC.Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccccc1-c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2C(C)(C)c2ccccc2-3)c1.

What is the InChIKey of 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene?

The InChIKey is WQCXDMCPARLLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N.C16H16.C13H12.C2H6/c1-26-12-4-5-15-30(26)29-14-10-13-27(24-29)28-22-23-37-34(25-28)32-17-7-9-20-36(32)41(37)38-21-11-18-33-31-16-6-8-19-35(31)40(2,3)39(33)38;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2/h4-25H,1-3H3;4-10H,1-3H3;2-10H,1H3;1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene?

9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene has a molecular weight of 932.31 g/mol, XLogP of 19.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene is sourced from PubChem (CID 144639950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).