4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine

C138H108N6 — CID 166718125

About 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine

4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine (PubChem CID 166718125) has the molecular formula C138H108N6 and a molecular weight of 1850.42 g/mol. Its IUPAC name is 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
• PubChem CID: 166718125
• Molecular Formula: C138H108N6
• Molecular Weight: 1850.42 g/mol
• Exact Mass: 1848.86
• IUPAC Name: 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
• SMILES: Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(Cc6ccc7c(c6)-c6ccc(N(c8ccc(-c9ccc(N(c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10)c%10ccc%11c(c%10)C%10(CCCC%10)c%10ccccc%10-%11)cc9)cc8)c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc6C76CCCC6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C138H108N6/c1-98-40-61-115(62-41-98)141(117-65-49-105(50-66-117)101-26-8-2-9-27-101)118-69-53-107(54-70-118)103-45-47-104(48-46-103)108-55-71-120(72-56-108)142(119-67-51-106(52-68-119)102-28-10-3-11-29-102)116-63-42-99(43-64-116)94-100-44-89-134-132(95-100)131-88-86-128(97-136(131)138(134)92-24-25-93-138)144(126-83-79-124(80-84-126)140(113-34-16-6-17-35-113)114-36-18-7-19-37-114)122-75-59-110(60-76-122)109-57-73-121(74-58-109)143(127-85-87-130-129-38-20-21-39-133(129)137(135(130)96-127)90-22-23-91-137)125-81-77-123(78-82-125)139(111-30-12-4-13-31-111)112-32-14-5-15-33-112/h2-21,26-89,95-97H,22-25,90-94H2,1H3
• InChIKey: ZYECDLNLPZLTEA-UHFFFAOYSA-N
• XLogP: 38.42
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1850.42
LogP ≤ 5	38.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

The IUPAC name of 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine (CID 166718125) is 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine.

What is the SMILES notation for 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

The canonical SMILES for 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(Cc6ccc7c(c6)-c6ccc(N(c8ccc(-c9ccc(N(c%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10)c%10ccc%11c(c%10)C%10(CCCC%10)c%10ccccc%10-%11)cc9)cc8)c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc6C76CCCC6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

The InChIKey is ZYECDLNLPZLTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H108N6/c1-98-40-61-115(62-41-98)141(117-65-49-105(50-66-117)101-26-8-2-9-27-101)118-69-53-107(54-70-118)103-45-47-104(48-46-103)108-55-71-120(72-56-108)142(119-67-51-106(52-68-119)102-28-10-3-11-29-102)116-63-42-99(43-64-116)94-100-44-89-134-132(95-100)131-88-86-128(97-136(131)138(134)92-24-25-93-138)144(126-83-79-124(80-84-126)140(113-34-16-6-17-35-113)114-36-18-7-19-37-114)122-75-59-110(60-76-122)109-57-73-121(74-58-109)143(127-85-87-130-129-38-20-21-39-133(129)137(135(130)96-127)90-22-23-91-137)125-81-77-123(78-82-125)139(111-30-12-4-13-31-111)112-32-14-5-15-33-112/h2-21,26-89,95-97H,22-25,90-94H2,1H3.

What are the key properties of 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine?

4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine has a molecular weight of 1850.42 g/mol, XLogP of 38.42, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine is sourced from PubChem (CID 166718125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).