9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine

C74H52N2 — CID 167214979

About 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine (PubChem CID 167214979) has the molecular formula C74H52N2 and a molecular weight of 969.24 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
• PubChem CID: 167214979
• Molecular Formula: C74H52N2
• Molecular Weight: 969.24 g/mol
• Exact Mass: 968.41
• IUPAC Name: 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21
• InChI: InChI=1S/C74H52N2/c1-73(2)67-29-14-11-25-61(67)64-43-42-58(48-70(64)73)75(57-40-34-51(35-41-57)60-28-17-19-50-18-9-10-24-59(50)60)56-38-32-49(33-39-56)52-36-44-71-65(46-52)66-47-54(37-45-72(66)76(71)55-22-7-4-8-23-55)74(53-20-5-3-6-21-53)68-30-15-12-26-62(68)63-27-13-16-31-69(63)74/h3-48H,1-2H3
• InChIKey: DKGCJZCWTPJZBU-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.24
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine (CID 167214979) is 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc4n5-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc21.

What is the InChIKey of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

The InChIKey is DKGCJZCWTPJZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N2/c1-73(2)67-29-14-11-25-61(67)64-43-42-58(48-70(64)73)75(57-40-34-51(35-41-57)60-28-17-19-50-18-9-10-24-59(50)60)56-38-32-49(33-39-56)52-36-44-71-65(46-52)66-47-54(37-45-72(66)76(71)55-22-7-4-8-23-55)74(53-20-5-3-6-21-53)68-30-15-12-26-62(68)63-27-13-16-31-69(63)74/h3-48H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine?

9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine has a molecular weight of 969.24 g/mol, XLogP of 19.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 167214979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).