N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

C152H92N4O — CID 135181336

About N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine (PubChem CID 135181336) has the molecular formula C152H92N4O and a molecular weight of 1990.43 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
• PubChem CID: 135181336
• Molecular Formula: C152H92N4O
• Molecular Weight: 1990.43 g/mol
• Exact Mass: 1988.73
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccc8ccccc8c6-7)cc54)c3)cc2)cc1
• InChI: InChI=1S/C152H92N4O/c1-3-34-93(35-4-1)94-70-72-96(73-71-94)106-41-14-24-64-137(106)154(105-81-84-114-112-46-12-19-56-125(112)151(135(114)92-105)128-59-22-26-66-140(128)155-138-65-25-15-47-115(138)117-51-31-62-132(151)146(117)155)142-68-33-61-130-145(142)120-49-13-21-58-127(120)149(130,100-38-5-2-6-39-100)101-40-29-37-98(88-101)99-77-87-139-122(89-99)118-52-32-63-133-147(118)156(139)141-67-27-23-60-129(141)152(133)126-57-20-11-45-111(126)113-83-80-103(90-134(113)152)153(102-78-74-97(75-79-102)108-50-30-53-119-116-48-16-28-69-143(116)157-148(108)119)104-82-85-121-136(91-104)150(131-86-76-95-36-7-8-42-107(95)144(121)131)123-54-17-9-43-109(123)110-44-10-18-55-124(110)150/h1-92H
• InChIKey: QPFFTCGKCOVANC-UHFFFAOYSA-N
• XLogP: 38.60
• TPSA: 29.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1990.43
LogP ≤ 5	38.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine (CID 135181336) is N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5-c5ccc(N(c6ccc(-c7cccc8c7oc7ccccc78)cc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccc8ccccc8c6-7)cc54)c3)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?

The InChIKey is QPFFTCGKCOVANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H92N4O/c1-3-34-93(35-4-1)94-70-72-96(73-71-94)106-41-14-24-64-137(106)154(105-81-84-114-112-46-12-19-56-125(112)151(135(114)92-105)128-59-22-26-66-140(128)155-138-65-25-15-47-115(138)117-51-31-62-132(151)146(117)155)142-68-33-61-130-145(142)120-49-13-21-58-127(120)149(130,100-38-5-2-6-39-100)101-40-29-37-98(88-101)99-77-87-139-122(89-99)118-52-32-63-133-147(118)156(139)141-67-27-23-60-129(141)152(133)126-57-20-11-45-111(126)113-83-80-103(90-134(113)152)153(102-78-74-97(75-79-102)108-50-30-53-119-116-48-16-28-69-143(116)157-148(108)119)104-82-85-121-136(91-104)150(131-86-76-95-36-7-8-42-107(95)144(121)131)123-54-17-9-43-109(123)110-44-10-18-55-124(110)150/h1-92H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine?

N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine has a molecular weight of 1990.43 g/mol, XLogP of 38.60, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-5-[3-[9-phenyl-4-[2-(4-phenylphenyl)-N-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]fluoren-9-yl]phenyl]-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine is sourced from PubChem (CID 135181336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).