9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine

C77H53N3 — CID 163530922

About 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine

9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine (PubChem CID 163530922) has the molecular formula C77H53N3 and a molecular weight of 1024.32 g/mol. Its IUPAC name is 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
• PubChem CID: 163530922
• Molecular Formula: C77H53N3
• Molecular Weight: 1024.32 g/mol
• Exact Mass: 1023.45
• IUPAC Name: 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
• SMILES: [2H]c1c([2H])c(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1cccc2c(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3ccccc3)cccc12
• InChI: InChI=1S/C77H53N3/c1-6-24-54(25-7-1)64-34-17-20-41-73(64)80(61-49-51-76-70(52-61)69-36-18-21-42-74(69)79(76)59-32-14-5-15-33-59)75-43-23-38-65-63(37-22-39-68(65)75)55-44-46-60(47-45-55)78(58-30-12-4-13-31-58)62-48-50-67-66-35-16-19-40-71(66)77(72(67)53-62,56-26-8-2-9-27-56)57-28-10-3-11-29-57/h1-53H/i44D,45D,46D,47D
• InChIKey: KJUAPPBFDCKZSY-AHURPQGDSA-N
• XLogP: 20.57
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1024.32
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

The IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine (CID 163530922) is 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine.

What is the SMILES notation for 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

The canonical SMILES for 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine is [2H]c1c([2H])c(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1cccc2c(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3-c3ccccc3)cccc12.

What is the InChIKey of 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

The InChIKey is KJUAPPBFDCKZSY-AHURPQGDSA-N. The full InChI is InChI=1S/C77H53N3/c1-6-24-54(25-7-1)64-34-17-20-41-73(64)80(61-49-51-76-70(52-61)69-36-18-21-42-74(69)79(76)59-32-14-5-15-33-59)75-43-23-38-65-63(37-22-39-68(65)75)55-44-46-60(47-45-55)78(58-30-12-4-13-31-58)62-48-50-67-66-35-16-19-40-71(66)77(72(67)53-62,56-26-8-2-9-27-56)57-28-10-3-11-29-57/h1-53H/i44D,45D,46D,47D.

What are the key properties of 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine?

9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine has a molecular weight of 1024.32 g/mol, XLogP of 20.57, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-(9,9-diphenylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine is sourced from PubChem (CID 163530922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).