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

C69H47N3 — CID 156687394

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

9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine (PubChem CID 156687394) has the molecular formula C69H47N3 and a molecular weight of 925.20 g/mol. Its IUPAC name is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine.

Molecular Properties

• Compound Name: 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine
• PubChem CID: 156687394
• Molecular Formula: C69H47N3
• Molecular Weight: 925.20 g/mol
• Exact Mass: 924.42
• IUPAC Name: 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine
• SMILES: [2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C69H47N3/c1-5-24-53(25-6-1)70(54-26-7-2-8-27-54)57-39-41-64-61(46-57)62-47-58(71(55-28-9-3-10-29-55)66-35-19-23-49-21-15-16-32-59(49)66)40-42-65(62)69(64,51-37-36-48-20-13-14-22-50(48)44-51)52-38-43-68-63(45-52)60-33-17-18-34-67(60)72(68)56-30-11-4-12-31-56/h1-47H/i13D,14D,20D,22D,36D,37D,44D
• InChIKey: LIIHIZPZBORDNI-DPJONXFKSA-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine?

The IUPAC name of 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine (CID 156687394) is 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine.

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

The canonical SMILES for 9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine is [2H]c1c([2H])c([2H])c2c([2H])c(C3(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc43)c([2H])c([2H])c2c1[2H].

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

The InChIKey is LIIHIZPZBORDNI-DPJONXFKSA-N. The full InChI is InChI=1S/C69H47N3/c1-5-24-53(25-6-1)70(54-26-7-2-8-27-54)57-39-41-64-61(46-57)62-47-58(71(55-28-9-3-10-29-55)66-35-19-23-49-21-15-16-32-59(49)66)40-42-65(62)69(64,51-37-36-48-20-13-14-22-50(48)44-51)52-38-43-68-63(45-52)60-33-17-18-34-67(60)72(68)56-30-11-4-12-31-56/h1-47H/i13D,14D,20D,22D,36D,37D,44D.

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

9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-3-N-naphthalen-1-yl-3-N,6-N,6-N-triphenyl-9-(9-phenylcarbazol-3-yl)fluorene-3,6-diamine is sourced from PubChem (CID 156687394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).