6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C160H100N4 — CID 155297074

About 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155297074) has the molecular formula C160H100N4 and a molecular weight of 2078.59 g/mol. Its IUPAC name is 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

• Compound Name: 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
• PubChem CID: 155297074
• Molecular Formula: C160H100N4
• Molecular Weight: 2078.59 g/mol
• Exact Mass: 2076.79
• IUPAC Name: 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc(-c4cccc(-c5ccccc5-c5ccccc5N(c5cccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-n7c8ccccc8c8cccc6c87)c5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc2-3)cc1
• InChI: InChI=1S/C160H100N4/c1-4-41-101(42-5-1)115-53-10-12-55-117(115)128-62-19-30-77-149(128)162(112-52-38-45-104(95-112)107-84-89-125-123-61-18-27-72-139(123)160(146(125)98-107)142-74-29-35-82-154(142)164-152-80-33-22-65-131(152)133-67-40-76-144(160)156(133)164)114-87-91-127-134-96-105(85-92-140(134)158(148(127)100-114)136-69-24-15-57-119(136)120-58-16-25-70-137(120)158)102-43-36-46-108(93-102)116-54-11-13-56-118(116)129-63-20-31-78-150(129)161(113-86-90-126-121-59-14-23-68-135(121)157(147(126)99-113,109-47-6-2-7-48-109)110-49-8-3-9-50-110)111-51-37-44-103(94-111)106-83-88-124-122-60-17-26-71-138(122)159(145(124)97-106)141-73-28-34-81-153(141)163-151-79-32-21-64-130(151)132-66-39-75-143(159)155(132)163/h1-100H
• InChIKey: UANSLMNPUITROV-UHFFFAOYSA-N
• XLogP: 40.55
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2078.59
LogP ≤ 5	40.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The IUPAC name of 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 155297074) is 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

What is the SMILES notation for 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The canonical SMILES for 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccc(-c4cccc(-c5ccccc5-c5ccccc5N(c5cccc(-c6ccc7c(c6)C6(c8ccccc8-7)c7ccccc7-n7c8ccccc8c8cccc6c87)c5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)cc2-3)cc1.

What is the InChIKey of 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

The InChIKey is UANSLMNPUITROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H100N4/c1-4-41-101(42-5-1)115-53-10-12-55-117(115)128-62-19-30-77-149(128)162(112-52-38-45-104(95-112)107-84-89-125-123-61-18-27-72-139(123)160(146(125)98-107)142-74-29-35-82-154(142)164-152-80-33-22-65-131(152)133-67-40-76-144(160)156(133)164)114-87-91-127-134-96-105(85-92-140(134)158(148(127)100-114)136-69-24-15-57-119(136)120-58-16-25-70-137(120)158)102-43-36-46-108(93-102)116-54-11-13-56-118(116)129-63-20-31-78-150(129)161(113-86-90-126-121-59-14-23-68-135(121)157(147(126)99-113,109-47-6-2-7-48-109)110-49-8-3-9-50-110)111-51-37-44-103(94-111)106-83-88-124-122-60-17-26-71-138(122)159(145(124)97-106)141-73-28-34-81-153(141)163-151-79-32-21-64-130(151)132-66-39-75-143(159)155(132)163/h1-100H.

What are the key properties of 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?

6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2078.59 g/mol, XLogP of 40.55, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-[2-(N-(9,9-diphenylfluoren-2-yl)-3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylanilino)phenyl]phenyl]phenyl]-N-[2-(2-phenylphenyl)phenyl]-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155297074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).