9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine

C69H47N3 — CID 156687625

About 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine

9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine (PubChem CID 156687625) has the molecular formula C69H47N3 and a molecular weight of 925.20 g/mol. Its IUPAC name is 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine.

Molecular Properties

• Compound Name: 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine
• PubChem CID: 156687625
• Molecular Formula: C69H47N3
• Molecular Weight: 925.20 g/mol
• Exact Mass: 924.42
• IUPAC Name: 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine
• SMILES: [2H]c1c([2H])c([2H])c2c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C69H47N3/c1-5-25-51(26-6-1)70(52-27-7-2-8-28-52)56-41-43-64-61(46-56)62-47-57(71(53-29-9-3-10-30-53)55-40-39-48-21-13-14-23-50(48)45-55)42-44-65(62)69(64,63-36-19-24-49-22-15-16-33-58(49)63)66-37-20-35-60-59-34-17-18-38-67(59)72(68(60)66)54-31-11-4-12-32-54/h1-47H/i15D,16D,19D,22D,24D,33D,36D
• InChIKey: QLUZXRXQEAKKIN-ZJXSTNCUSA-N
• XLogP: 18.39
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.20
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine?

The IUPAC name of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine (CID 156687625) is 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine.

What is the SMILES notation for 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine?

The canonical SMILES for 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine is [2H]c1c([2H])c([2H])c2c(C3(c4cccc5c6ccccc6n(-c6ccccc6)c45)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc43)c([2H])c([2H])c([2H])c2c1[2H].

What is the InChIKey of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine?

The InChIKey is QLUZXRXQEAKKIN-ZJXSTNCUSA-N. The full InChI is InChI=1S/C69H47N3/c1-5-25-51(26-6-1)70(52-27-7-2-8-28-52)56-41-43-64-61(46-56)62-47-57(71(53-29-9-3-10-30-53)55-40-39-48-21-13-14-23-50(48)45-55)42-44-65(62)69(64,63-36-19-24-49-22-15-16-33-58(49)63)66-37-20-35-60-59-34-17-18-38-67(59)72(68(60)66)54-31-11-4-12-32-54/h1-47H/i15D,16D,19D,22D,24D,33D,36D.

What are the key properties of 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine?

9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine has a molecular weight of 925.20 g/mol, XLogP of 18.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-3-N-naphthalen-2-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-1-yl)fluorene-3,6-diamine is sourced from PubChem (CID 156687625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).