3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole

C75H54N4 — CID 163741949

About 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole

3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole (PubChem CID 163741949) has the molecular formula C75H54N4 and a molecular weight of 1011.29 g/mol. Its IUPAC name is 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole
• PubChem CID: 163741949
• Molecular Formula: C75H54N4
• Molecular Weight: 1011.29 g/mol
• Exact Mass: 1010.43
• IUPAC Name: 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8C7=CC8C(C=C7)c7ccccc7C8(C)C)ccc5n6-c5cnc6ccccc6c5)ccc43)cc21
• InChI: InChI=1S/C75H54N4/c1-74(2)63-20-10-6-16-53(63)55-31-29-50(42-65(55)74)77-68-23-13-8-18-57(68)59-38-45(25-33-70(59)77)47-27-35-72-61(40-47)62-41-48(28-36-73(62)79(72)52-37-49-15-5-12-22-67(49)76-44-52)46-26-34-71-60(39-46)58-19-9-14-24-69(58)78(71)51-30-32-56-54-17-7-11-21-64(54)75(3,4)66(56)43-51/h5-44,55,65H,1-4H3
• InChIKey: LINNBTIEVACPMX-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.29
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole?

The IUPAC name of 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole (CID 163741949) is 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole.

What is the SMILES notation for 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole?

The canonical SMILES for 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8C7=CC8C(C=C7)c7ccccc7C8(C)C)ccc5n6-c5cnc6ccccc6c5)ccc43)cc21.

What is the InChIKey of 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole?

The InChIKey is LINNBTIEVACPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N4/c1-74(2)63-20-10-6-16-53(63)55-31-29-50(42-65(55)74)77-68-23-13-8-18-57(68)59-38-45(25-33-70(59)77)47-27-35-72-61(40-47)62-41-48(28-36-73(62)79(72)52-37-49-15-5-12-22-67(49)76-44-52)46-26-34-71-60(39-46)58-19-9-14-24-69(58)78(71)51-30-32-56-54-17-7-11-21-64(54)75(3,4)66(56)43-51/h5-44,55,65H,1-4H3.

What are the key properties of 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole?

3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole has a molecular weight of 1011.29 g/mol, XLogP of 19.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-quinolin-3-ylcarbazole is sourced from PubChem (CID 163741949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).