2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine

C121H82N4 — CID 167023334

About 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine

2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 167023334) has the molecular formula C121H82N4 and a molecular weight of 1592.01 g/mol. Its IUPAC name is 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

• Compound Name: 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
• PubChem CID: 167023334
• Molecular Formula: C121H82N4
• Molecular Weight: 1592.01 g/mol
• Exact Mass: 1590.65
• IUPAC Name: 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc(-c8cccc(-c9ccc(N(c%10ccc(-c%11ccccc%11)cc%10)c%10ccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)cc%10)cc9)c8)cc7)cc6)ccc4-5)cc3)cc2)cc1
• InChI: InChI=1S/C121H82N4/c1-5-22-83(23-6-1)86-40-42-87(43-41-86)91-54-68-103(69-55-91)123(99-30-11-4-12-31-99)107-76-78-111-112-79-77-108(82-118(112)121(117(111)81-107)115-36-17-13-32-109(115)110-33-14-18-37-116(110)121)124(104-66-50-90(51-67-104)85-26-9-3-10-27-85)105-70-56-92(57-71-105)88-44-46-95(47-45-88)97-28-21-29-98(80-97)96-60-72-102(73-61-96)122(100-62-48-89(49-63-100)84-24-7-2-8-25-84)101-64-52-93(53-65-101)94-58-74-106(75-59-94)125-119-38-19-15-34-113(119)114-35-16-20-39-120(114)125/h1-82H
• InChIKey: PECZVRCRJHQHPQ-UHFFFAOYSA-N
• XLogP: 32.87
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1592.01
LogP ≤ 5	32.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?

The IUPAC name of 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine (CID 167023334) is 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine.

What is the SMILES notation for 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?

The canonical SMILES for 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc(-c8cccc(-c9ccc(N(c%10ccc(-c%11ccccc%11)cc%10)c%10ccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)cc%10)cc9)c8)cc7)cc6)ccc4-5)cc3)cc2)cc1.

What is the InChIKey of 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?

The InChIKey is PECZVRCRJHQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H82N4/c1-5-22-83(23-6-1)86-40-42-87(43-41-86)91-54-68-103(69-55-91)123(99-30-11-4-12-31-99)107-76-78-111-112-79-77-108(82-118(112)121(117(111)81-107)115-36-17-13-32-109(115)110-33-14-18-37-116(110)121)124(104-66-50-90(51-67-104)85-26-9-3-10-27-85)105-70-56-92(57-71-105)88-44-46-95(47-45-88)97-28-21-29-98(80-97)96-60-72-102(73-61-96)122(100-62-48-89(49-63-100)84-24-7-2-8-25-84)101-64-52-93(53-65-101)94-58-74-106(75-59-94)125-119-38-19-15-34-113(119)114-35-16-20-39-120(114)125/h1-82H.

What are the key properties of 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?

2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 1592.01 g/mol, XLogP of 32.87, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 167023334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).