9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine

C67H47N3 — CID 71038321

About 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (PubChem CID 71038321) has the molecular formula C67H47N3 and a molecular weight of 894.13 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 71038321
• Molecular Formula: C67H47N3
• Molecular Weight: 894.13 g/mol
• Exact Mass: 893.38
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C67H47N3/c1-67(2)60-41-47(46-32-39-65-59(40-46)57-24-12-14-26-64(57)69(65)49-18-5-3-6-19-49)30-36-54(60)55-38-35-52(43-61(55)67)68(62-27-15-17-45-16-9-10-22-53(45)62)51-33-28-44(29-34-51)48-31-37-58-56-23-11-13-25-63(56)70(66(58)42-48)50-20-7-4-8-21-50/h3-43H,1-2H3
• InChIKey: YCLZICSKQIDXOC-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.13
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (CID 71038321) is 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The InChIKey is YCLZICSKQIDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3/c1-67(2)60-41-47(46-32-39-65-59(40-46)57-24-12-14-26-64(57)69(65)49-18-5-3-6-19-49)30-36-54(60)55-38-35-52(43-61(55)67)68(62-27-15-17-45-16-9-10-22-53(45)62)51-33-28-44(29-34-51)48-31-37-58-56-23-11-13-25-63(56)70(66(58)42-48)50-20-7-4-8-21-50/h3-43H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine has a molecular weight of 894.13 g/mol, XLogP of 18.14, 7 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-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 71038321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).