9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine

C61H44N2 — CID 90393480

About 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine (PubChem CID 90393480) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
• PubChem CID: 90393480
• Molecular Formula: C61H44N2
• Molecular Weight: 805.04 g/mol
• Exact Mass: 804.35
• IUPAC Name: 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)c4)c3)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C61H44N2/c1-61(2)57-24-10-8-22-53(57)54-34-33-52(40-58(54)61)62(51-32-28-42-16-6-7-17-46(42)37-51)50-21-13-20-47(38-50)44-18-12-19-45(36-44)48-29-35-60-56(39-48)55-23-9-11-25-59(55)63(60)49-30-26-43(27-31-49)41-14-4-3-5-15-41/h3-40H,1-2H3
• InChIKey: MCFRAVHLDRJKBH-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.04
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine (CID 90393480) is 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)c4)c3)c3ccc4ccccc4c3)cc21.

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

The InChIKey is MCFRAVHLDRJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-61(2)57-24-10-8-22-53(57)54-34-33-52(40-58(54)61)62(51-32-28-42-16-6-7-17-46(42)37-51)50-21-13-20-47(38-50)44-18-12-19-45(36-44)48-29-35-60-56(39-48)55-23-9-11-25-59(55)63(60)49-30-26-43(27-31-49)41-14-4-3-5-15-41/h3-40H,1-2H3.

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

9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine has a molecular weight of 805.04 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 90393480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).