N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

C124H76N2O4 — CID 167235979

About N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline

N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (PubChem CID 167235979) has the molecular formula C124H76N2O4 and a molecular weight of 1657.98 g/mol. Its IUPAC name is N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
• PubChem CID: 167235979
• Molecular Formula: C124H76N2O4
• Molecular Weight: 1657.98 g/mol
• Exact Mass: 1656.58
• IUPAC Name: N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
• SMILES: c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)c(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6cccc(-c7cccc8oc9c%10ccccc%10ccc9c78)c6)c5)c5ccccc45)c4oc5c6ccccc6ccc5c34)cc2)cc1
• InChI: InChI=1S/C124H76N2O4/c1-3-22-80(23-4-1)97-62-54-88(95-39-20-29-79-26-7-10-32-94(79)95)73-113(97)125(90-56-44-77(45-57-90)85-52-64-108-106-37-15-17-41-115(106)127-118(108)75-85)91-60-48-84(49-61-91)100-69-71-110(124-121(100)112-67-51-83-28-9-12-34-102(83)123(112)130-124)105-70-68-96(103-35-13-14-36-104(103)105)89-55-63-98(81-24-5-2-6-25-81)114(74-89)126(92-58-46-78(47-59-92)86-53-65-109-107-38-16-18-42-116(107)128-119(109)76-86)93-31-19-30-87(72-93)99-40-21-43-117-120(99)111-66-50-82-27-8-11-33-101(82)122(111)129-117/h1-76H
• InChIKey: HNSWURXWKRREBD-UHFFFAOYSA-N
• XLogP: 35.84
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.98
LogP ≤ 5	35.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

The IUPAC name of N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline (CID 167235979) is N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline.

What is the SMILES notation for N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

The canonical SMILES for N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)c(N(c6ccc(-c7ccc8c(c7)oc7ccccc78)cc6)c6cccc(-c7cccc8oc9c%10ccccc%10ccc9c78)c6)c5)c5ccccc45)c4oc5c6ccccc6ccc5c34)cc2)cc1.

What is the InChIKey of N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

The InChIKey is HNSWURXWKRREBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H76N2O4/c1-3-22-80(23-4-1)97-62-54-88(95-39-20-29-79-26-7-10-32-94(79)95)73-113(97)125(90-56-44-77(45-57-90)85-52-64-108-106-37-15-17-41-115(106)127-118(108)75-85)91-60-48-84(49-61-91)100-69-71-110(124-121(100)112-67-51-83-28-9-12-34-102(83)123(112)130-124)105-70-68-96(103-35-13-14-36-104(103)105)89-55-63-98(81-24-5-2-6-25-81)114(74-89)126(92-58-46-78(47-59-92)86-53-65-109-107-38-16-18-42-116(107)128-119(109)76-86)93-31-19-30-87(72-93)99-40-21-43-117-120(99)111-66-50-82-27-8-11-33-101(82)122(111)129-117/h1-76H.

What are the key properties of N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline?

N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline has a molecular weight of 1657.98 g/mol, XLogP of 35.84, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[10-[4-[3-(4-dibenzofuran-3-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)anilino)-4-phenylphenyl]naphthalen-1-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline is sourced from PubChem (CID 167235979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).