N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline

C132H86N4O2 — CID 155398103

About N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline

N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline (PubChem CID 155398103) has the molecular formula C132H86N4O2 and a molecular weight of 1760.17 g/mol. Its IUPAC name is N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline
• PubChem CID: 155398103
• Molecular Formula: C132H86N4O2
• Molecular Weight: 1760.17 g/mol
• Exact Mass: 1758.68
• IUPAC Name: N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline
• SMILES: c1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)ccc2-c2ccc3c(c2)oc2cccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)cc5)c5ccccc5-c5ccccc5-c5ccccc5)c4)c23)cc1
• InChI: InChI=1S/C132H86N4O2/c1-3-27-94(28-4-1)109-39-7-8-40-113(109)114-41-9-15-49-122(114)134(104-77-67-90(68-78-104)88-59-63-92(64-60-88)97-32-22-38-108(82-97)136-125-52-18-12-44-117(125)118-45-13-19-53-126(118)136)106-36-24-34-100(84-106)112-48-26-56-129-132(112)120-80-72-101(86-130(120)138-129)110-79-71-98(85-121(110)95-29-5-2-6-30-95)93-69-75-103(76-70-93)133(105-35-23-33-99(83-105)111-47-25-55-128-131(111)119-46-14-20-54-127(119)137-128)102-73-65-89(66-74-102)87-57-61-91(62-58-87)96-31-21-37-107(81-96)135-123-50-16-10-42-115(123)116-43-11-17-51-124(116)135/h1-86H
• InChIKey: KJECKTUWWZZHJK-UHFFFAOYSA-N
• XLogP: 36.96
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1760.17
LogP ≤ 5	36.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline?

The IUPAC name of N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline (CID 155398103) is N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline.

What is the SMILES notation for N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline?

The canonical SMILES for N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline is c1ccc(-c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4cccc(-c5cccc6oc7ccccc7c56)c4)cc3)ccc2-c2ccc3c(c2)oc2cccc(-c4cccc(N(c5ccc(-c6ccc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)cc6)cc5)c5ccccc5-c5ccccc5-c5ccccc5)c4)c23)cc1.

What is the InChIKey of N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline?

The InChIKey is KJECKTUWWZZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H86N4O2/c1-3-27-94(28-4-1)109-39-7-8-40-113(109)114-41-9-15-49-122(114)134(104-77-67-90(68-78-104)88-59-63-92(64-60-88)97-32-22-38-108(82-97)136-125-52-18-12-44-117(125)118-45-13-19-53-126(118)136)106-36-24-34-100(84-106)112-48-26-56-129-132(112)120-80-72-101(86-130(120)138-129)110-79-71-98(85-121(110)95-29-5-2-6-30-95)93-69-75-103(76-70-93)133(105-35-23-33-99(83-105)111-47-25-55-128-131(111)119-46-14-20-54-127(119)137-128)102-73-65-89(66-74-102)87-57-61-91(62-58-87)96-31-21-37-107(81-96)135-123-50-16-10-42-115(123)116-43-11-17-51-124(116)135/h1-86H.

What are the key properties of N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline?

N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline has a molecular weight of 1760.17 g/mol, XLogP of 36.96, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-[4-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-1-ylphenyl)anilino]phenyl]-2-phenylphenyl]dibenzofuran-1-yl]phenyl]-N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 155398103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).