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

C73H51N3 — CID 89212902

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

7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 89212902) has the molecular formula C73H51N3 and a molecular weight of 970.23 g/mol. Its IUPAC name is 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 89212902
• Molecular Formula: C73H51N3
• Molecular Weight: 970.23 g/mol
• Exact Mass: 969.41
• IUPAC Name: 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
• InChI: InChI=1S/C73H51N3/c1-73(2)67-46-57(40-43-61(67)62-44-41-58(47-68(62)73)76-70-25-12-8-20-63(70)64-21-9-13-26-71(64)76)74(56-38-33-52(34-39-56)60-23-14-16-51-15-6-7-19-59(51)60)55-36-31-49(32-37-55)48-27-29-50(30-28-48)53-35-42-66-65-22-10-11-24-69(65)75(72(66)45-53)54-17-4-3-5-18-54/h3-47H,1-2H3
• InChIKey: SKFWVMNQEKJJHY-UHFFFAOYSA-N
• XLogP: 19.81
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.23
LogP ≤ 5	19.81
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-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine (CID 89212902) is 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine.

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

The canonical SMILES for 7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)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-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is SKFWVMNQEKJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51N3/c1-73(2)67-46-57(40-43-61(67)62-44-41-58(47-68(62)73)76-70-25-12-8-20-63(70)64-21-9-13-26-71(64)76)74(56-38-33-52(34-39-56)60-23-14-16-51-15-6-7-19-59(51)60)55-36-31-49(32-37-55)48-27-29-50(30-28-48)53-35-42-66-65-22-10-11-24-69(65)75(72(66)45-53)54-17-4-3-5-18-54/h3-47H,1-2H3.

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

7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 970.23 g/mol, XLogP of 19.81, 8 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-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 89212902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).