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

C54H39N3 — CID 118505654

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

9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 118505654) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 118505654
• Molecular Formula: C54H39N3
• Molecular Weight: 729.93 g/mol
• Exact Mass: 729.31
• IUPAC Name: 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccnc7)c6c5)c4)cc3)c3ccc4ccccc4c3)cc21
• InChI: InChI=1S/C54H39N3/c1-54(2)50-18-7-5-16-46(50)47-29-27-44(34-51(47)54)56(43-26-22-36-11-3-4-12-40(36)32-43)42-24-20-37(21-25-42)38-13-9-14-39(31-38)41-23-28-49-48-17-6-8-19-52(48)57(53(49)33-41)45-15-10-30-55-35-45/h3-35H,1-2H3
• InChIKey: ZGNJBIHBNBRRAN-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.93
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (CID 118505654) is 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccc6c7ccccc7n(-c7cccnc7)c6c5)c4)cc3)c3ccc4ccccc4c3)cc21.

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

The InChIKey is ZGNJBIHBNBRRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-54(2)50-18-7-5-16-46(50)47-29-27-44(34-51(47)54)56(43-26-22-36-11-3-4-12-40(36)32-43)42-24-20-37(21-25-42)38-13-9-14-39(31-38)41-23-28-49-48-17-6-8-19-52(48)57(53(49)33-41)45-15-10-30-55-35-45/h3-35H,1-2H3.

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

9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 729.93 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-2-yl-N-[4-[3-(9-pyridin-3-ylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 118505654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).