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

C76H55N3 — CID 89212870

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

N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (PubChem CID 89212870) has the molecular formula C76H55N3 and a molecular weight of 1010.30 g/mol. Its IUPAC name is N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
• PubChem CID: 89212870
• Molecular Formula: C76H55N3
• Molecular Weight: 1010.30 g/mol
• Exact Mass: 1009.44
• IUPAC Name: N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3-4)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C76H55N3/c1-75(2)66-43-50(49-33-41-73-65(42-49)63-26-14-16-28-72(63)78(73)53-20-7-5-8-21-53)30-36-58(66)60-39-34-55(46-68(60)75)77(70-29-17-19-48-18-11-12-24-57(48)70)56-35-40-61-59-37-31-51(44-67(59)76(3,4)69(61)47-56)52-32-38-64-62-25-13-15-27-71(62)79(74(64)45-52)54-22-9-6-10-23-54/h5-47H,1-4H3
• InChIKey: JBPDHVKQTLABAL-UHFFFAOYSA-N
• XLogP: 20.45
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.30
LogP ≤ 5	20.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine (CID 89212870) is N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine.

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

The canonical SMILES for N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc3-4)c3cccc4ccccc34)cc21.

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

The InChIKey is JBPDHVKQTLABAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H55N3/c1-75(2)66-43-50(49-33-41-73-65(42-49)63-26-14-16-28-72(63)78(73)53-20-7-5-8-21-53)30-36-58(66)60-39-34-55(46-68(60)75)77(70-29-17-19-48-18-11-12-24-57(48)70)56-35-40-61-59-37-31-51(44-67(59)76(3,4)69(61)47-56)52-32-38-64-62-25-13-15-27-71(62)79(74(64)45-52)54-22-9-6-10-23-54/h5-47H,1-4H3.

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

N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine has a molecular weight of 1010.30 g/mol, XLogP of 20.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine is sourced from PubChem (CID 89212870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).