4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

C121H86N2 — CID 146496873

About 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline

4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 146496873) has the molecular formula C121H86N2 and a molecular weight of 1568.03 g/mol. Its IUPAC name is 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 146496873
• Molecular Formula: C121H86N2
• Molecular Weight: 1568.03 g/mol
• Exact Mass: 1566.68
• IUPAC Name: 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(-c7ccc8cc(-c9ccc(N(c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)cc9-c9ccccc9)ccc8c7)cc6)cc5)cc4)cc3-c3ccccc3)cc21
• InChI: InChI=1S/C121H86N2/c1-121(2)119-31-19-18-30-115(119)116-75-64-106(80-120(116)121)114-77-74-112(82-118(114)101-28-16-7-17-29-101)123(109-69-60-97(61-70-109)93-42-36-88(37-43-93)85-24-12-5-13-25-85)110-71-62-98(63-72-110)94-46-44-89(45-47-94)90-48-50-99(51-49-90)102-52-53-104-79-105(55-54-103(104)78-102)113-76-73-111(81-117(113)100-26-14-6-15-27-100)122(107-65-56-95(57-66-107)91-38-32-86(33-39-91)83-20-8-3-9-21-83)108-67-58-96(59-68-108)92-40-34-87(35-41-92)84-22-10-4-11-23-84/h3-82H,1-2H3
• InChIKey: KHCDHOWLSBMAOK-UHFFFAOYSA-N
• XLogP: 33.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 19
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1568.03
LogP ≤ 5	33.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline (CID 146496873) is 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(-c7ccc8cc(-c9ccc(N(c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)c%10ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc%10)cc9-c9ccccc9)ccc8c7)cc6)cc5)cc4)cc3-c3ccccc3)cc21.

What is the InChIKey of 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is KHCDHOWLSBMAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H86N2/c1-121(2)119-31-19-18-30-115(119)116-75-64-106(80-120(116)121)114-77-74-112(82-118(114)101-28-16-7-17-29-101)123(109-69-60-97(61-70-109)93-42-36-88(37-43-93)85-24-12-5-13-25-85)110-71-62-98(63-72-110)94-46-44-89(45-47-94)90-48-50-99(51-49-90)102-52-53-104-79-105(55-54-103(104)78-102)113-76-73-111(81-117(113)100-26-14-6-15-27-100)122(107-65-56-95(57-66-107)91-38-32-86(33-39-91)83-20-8-3-9-21-83)108-67-58-96(59-68-108)92-40-34-87(35-41-92)84-22-10-4-11-23-84/h3-82H,1-2H3.

What are the key properties of 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline?

4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 1568.03 g/mol, XLogP of 33.76, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 146496873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).