N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine

C₆₉H₅₀N₄O — CID 90161020

About N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine

N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine (PubChem CID 90161020) has the molecular formula C₆₉H₅₀N₄O and a molecular weight of 951.19 g/mol. Its IUPAC name is N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine.

Molecular Properties

• Compound Name: N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
• PubChem CID: 90161020
• Molecular Formula: C₆₉H₅₀N₄O
• Molecular Weight: 951.19 g/mol
• Exact Mass: 950.40
• IUPAC Name: N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc3n4-c3ccccc3)cc21
• InChI: InChI=1S/C69H50N4O/c1-69(2)59-27-15-16-28-63(59)72(52-23-11-5-12-24-52)64-40-34-50(44-60(64)69)49-33-39-61-57(43-49)58-45-55(37-41-62(58)71(61)51-21-9-4-10-22-51)70(54-35-31-48(32-36-54)47-19-7-3-8-20-47)56-38-42-66-68(46-56)74-67-30-18-17-29-65(67)73(66)53-25-13-6-14-26-53/h3-46H,1-2H3
• InChIKey: FMCYOTVGVQNQER-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 23.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.19
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?

The IUPAC name of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine (CID 90161020) is N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine.

What is the SMILES notation for N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?

The canonical SMILES for N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)Oc5ccccc5N6c5ccccc5)ccc3n4-c3ccccc3)cc21.

What is the InChIKey of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?

The InChIKey is FMCYOTVGVQNQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4O/c1-69(2)59-27-15-16-28-63(59)72(52-23-11-5-12-24-52)64-40-34-50(44-60(64)69)49-33-39-61-57(43-49)58-45-55(37-41-62(58)71(61)51-21-9-4-10-22-51)70(54-35-31-48(32-36-54)47-19-7-3-8-20-47)56-38-42-66-68(46-56)74-67-30-18-17-29-65(67)73(66)53-25-13-6-14-26-53/h3-46H,1-2H3.

What are the key properties of N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?

N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine has a molecular weight of 951.19 g/mol, XLogP of 19.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-9-phenylcarbazol-3-yl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine is sourced from PubChem (CID 90161020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90161020 — identifiers, structure, computed properties (public domain)

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