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

C67H49N3 — CID 163465388

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

9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine (PubChem CID 163465388) has the molecular formula C67H49N3 and a molecular weight of 900.17 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine
• PubChem CID: 163465388
• Molecular Formula: C67H49N3
• Molecular Weight: 900.17 g/mol
• Exact Mass: 899.42
• IUPAC Name: 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine
• SMILES: [2H]c1c([2H])c(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c1
• InChI: InChI=1S/C67H49N3/c1-67(2)63-24-14-12-22-59(63)60-40-38-58(45-64(60)67)68(52-18-8-4-9-19-52)54-35-30-48(31-36-54)49-26-27-51-43-56(37-32-50(51)42-49)69(55-33-28-47(29-34-55)46-16-6-3-7-17-46)57-39-41-66-62(44-57)61-23-13-15-25-65(61)70(66)53-20-10-5-11-21-53/h3-45H,1-2H3/i30D,31D,35D,36D
• InChIKey: PXDRGUXVGXBHFX-SSSOJEAFSA-N
• XLogP: 18.52
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.17
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine (CID 163465388) is 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine.

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

The canonical SMILES for 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine is [2H]c1c([2H])c(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2c1.

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

The InChIKey is PXDRGUXVGXBHFX-SSSOJEAFSA-N. The full InChI is InChI=1S/C67H49N3/c1-67(2)63-24-14-12-22-59(63)60-40-38-58(45-64(60)67)68(52-18-8-4-9-19-52)54-35-30-48(31-36-54)49-26-27-51-43-56(37-32-50(51)42-49)69(55-33-28-47(29-34-55)46-16-6-3-7-17-46)57-39-41-66-62(44-57)61-23-13-15-25-65(61)70(66)53-20-10-5-11-21-53/h3-45H,1-2H3/i30D,31D,35D,36D.

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

9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine has a molecular weight of 900.17 g/mol, XLogP of 18.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-(4-phenylphenyl)-N-[6-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-2-yl]carbazol-3-amine is sourced from PubChem (CID 163465388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).