1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C126H84N6 — CID 59816034

About 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 59816034) has the molecular formula C126H84N6 and a molecular weight of 1682.10 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

• Compound Name: 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
• PubChem CID: 59816034
• Molecular Formula: C126H84N6
• Molecular Weight: 1682.10 g/mol
• Exact Mass: 1680.68
• IUPAC Name: 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
• SMILES: c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5cc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6cccc7ccccc67)cc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6cccc7ccccc67)c5)ccc3n4-c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C126H84N6/c1-7-28-85(29-8-1)88-52-58-91(59-53-88)97-64-70-121-112(76-97)115-82-103(67-73-124(115)130(121)118-49-25-37-94-34-19-22-46-109(94)118)127(100-40-13-4-14-41-100)106-79-107(128(101-42-15-5-16-43-101)104-68-74-125-116(83-104)113-77-98(92-60-54-89(55-61-92)86-30-9-2-10-31-86)65-71-122(113)131(125)119-50-26-38-95-35-20-23-47-110(95)119)81-108(80-106)129(102-44-17-6-18-45-102)105-69-75-126-117(84-105)114-78-99(93-62-56-90(57-63-93)87-32-11-3-12-33-87)66-72-123(114)132(126)120-51-27-39-96-36-21-24-48-111(96)120/h1-84H
• InChIKey: YRJVDAHZMIXRIL-UHFFFAOYSA-N
• XLogP: 34.85
• TPSA: 24.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1682.10
LogP ≤ 5	34.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?

The IUPAC name of 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 59816034) is 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

What is the SMILES notation for 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?

The canonical SMILES for 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(N(c5ccccc5)c5cc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6cccc7ccccc67)cc(N(c6ccccc6)c6ccc7c(c6)c6cc(-c8ccc(-c9ccccc9)cc8)ccc6n7-c6cccc7ccccc67)c5)ccc3n4-c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?

The InChIKey is YRJVDAHZMIXRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H84N6/c1-7-28-85(29-8-1)88-52-58-91(59-53-88)97-64-70-121-112(76-97)115-82-103(67-73-124(115)130(121)118-49-25-37-94-34-19-22-46-109(94)118)127(100-40-13-4-14-41-100)106-79-107(128(101-42-15-5-16-43-101)104-68-74-125-116(83-104)113-77-98(92-60-54-89(55-61-92)86-30-9-2-10-31-86)65-71-122(113)131(125)119-50-26-38-95-35-20-23-47-110(95)119)81-108(80-106)129(102-44-17-6-18-45-102)105-69-75-126-117(84-105)114-78-99(93-62-56-90(57-63-93)87-32-11-3-12-33-87)66-72-123(114)132(126)120-51-27-39-96-36-21-24-48-111(96)120/h1-84H.

What are the key properties of 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?

1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1682.10 g/mol, XLogP of 34.85, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 59816034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).