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

C67H47N3 — CID 71038406

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

7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (PubChem CID 71038406) has the molecular formula C67H47N3 and a molecular weight of 894.13 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
• PubChem CID: 71038406
• Molecular Formula: C67H47N3
• Molecular Weight: 894.13 g/mol
• Exact Mass: 893.38
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C67H47N3/c1-67(2)61-42-51(36-39-55(61)56-40-37-52(43-62(56)67)70-64-25-12-8-20-57(64)58-21-9-13-26-65(58)70)68(50-34-29-46(30-35-50)54-23-14-16-45-15-6-7-19-53(45)54)49-32-27-44(28-33-49)47-31-38-60-59-22-10-11-24-63(59)69(66(60)41-47)48-17-4-3-5-18-48/h3-43H,1-2H3
• InChIKey: XNWJMJJKAJUMPP-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 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine (CID 71038406) is 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine.

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

The canonical SMILES for 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.

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

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

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

7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-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 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 71038406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).