N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine

C136H84N2 — CID 130311297

About N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine

N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine (PubChem CID 130311297) has the molecular formula C136H84N2 and a molecular weight of 1746.18 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine
• PubChem CID: 130311297
• Molecular Formula: C136H84N2
• Molecular Weight: 1746.18 g/mol
• Exact Mass: 1744.66
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc(N(c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)ccc6-7)ccc54)c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1
• InChI: InChI=1S/C136H84N2/c1-5-34-87(35-6-1)133(88-36-7-2-8-37-88)119-56-27-21-52-108(119)112-74-68-94(83-129(112)133)137(91-66-72-104-100-46-15-13-42-96(100)98-44-17-19-48-102(98)115(104)80-91)92-70-77-126-118(82-92)110-54-25-31-60-123(110)135(126)122-59-30-24-53-109(122)117-78-85(65-76-125(117)135)86-64-71-111-113-75-69-95(84-130(113)134(128(111)79-86,89-38-9-3-10-39-89)90-40-11-4-12-41-90)138(93-67-73-105-101-47-16-14-43-97(101)99-45-18-20-49-103(99)116(105)81-93)131-63-33-62-127-132(131)114-55-26-32-61-124(114)136(127)120-57-28-22-50-106(120)107-51-23-29-58-121(107)136/h1-84H
• InChIKey: UNOKYPZDRDMQQM-UHFFFAOYSA-N
• XLogP: 34.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1746.18
LogP ≤ 5	34.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine (CID 130311297) is N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc(N(c8ccc9c%10ccccc%10c%10ccccc%10c9c8)c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)ccc6-7)ccc54)c4ccc5c6ccccc6c6ccccc6c5c4)cc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine?

The InChIKey is UNOKYPZDRDMQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H84N2/c1-5-34-87(35-6-1)133(88-36-7-2-8-37-88)119-56-27-21-52-108(119)112-74-68-94(83-129(112)133)137(91-66-72-104-100-46-15-13-42-96(100)98-44-17-19-48-102(98)115(104)80-91)92-70-77-126-118(82-92)110-54-25-31-60-123(110)135(126)122-59-30-24-53-109(122)117-78-85(65-76-125(117)135)86-64-71-111-113-75-69-95(84-130(113)134(128(111)79-86,89-38-9-3-10-39-89)90-40-11-4-12-41-90)138(93-67-73-105-101-47-16-14-43-97(101)99-45-18-20-49-103(99)116(105)81-93)131-63-33-62-127-132(131)114-55-26-32-61-124(114)136(127)120-57-28-22-50-106(120)107-51-23-29-58-121(107)136/h1-84H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine?

N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine has a molecular weight of 1746.18 g/mol, XLogP of 34.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine is sourced from PubChem (CID 130311297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).