5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine

C146H94N4 — CID 174249767

About 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine

5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine (PubChem CID 174249767) has the molecular formula C146H94N4 and a molecular weight of 1904.39 g/mol. Its IUPAC name is 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine.

Molecular Properties

• Compound Name: 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
• PubChem CID: 174249767
• Molecular Formula: C146H94N4
• Molecular Weight: 1904.39 g/mol
• Exact Mass: 1902.75
• IUPAC Name: 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine
• SMILES: c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3c-4c4ccccc4c4cc(N(c5ccccc5)c5cccc(-c6cccc(-c7cccc(-c8ccccc8N(c8ccccc8)c8cc9c(c%10ccccc8%10)C8(c%10ccccc%10-c%10ccccc%108)c8c-9c9ccccc9c9cc(N(c%10ccccc%10)c%10ccccc%10-c%10ccccc%10)ccc89)c7)c6)c5)ccc34)c2)cc1
• InChI: InChI=1S/C146H94N4/c1-7-43-95(44-8-1)100-50-41-62-108(89-100)149(105-57-15-5-16-58-105)137-93-129-139-121-73-23-19-65-113(121)127-91-109(83-85-125(127)143(139)145(141(129)123-75-25-21-71-119(123)137)131-77-33-27-67-115(131)116-68-28-34-78-132(116)145)147(103-53-11-3-12-54-103)107-61-42-51-101(90-107)98-48-39-47-97(87-98)99-49-40-52-102(88-99)112-64-32-38-82-136(112)150(106-59-17-6-18-60-106)138-94-130-140-122-74-24-20-66-114(122)128-92-110(148(104-55-13-4-14-56-104)135-81-37-31-63-111(135)96-45-9-2-10-46-96)84-86-126(128)144(140)146(142(130)124-76-26-22-72-120(124)138)133-79-35-29-69-117(133)118-70-30-36-80-134(118)146/h1-94H
• InChIKey: KWKUGWRTPAFZHQ-UHFFFAOYSA-N
• XLogP: 39.51
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1904.39
LogP ≤ 5	39.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

The IUPAC name of 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine (CID 174249767) is 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine.

What is the SMILES notation for 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

The canonical SMILES for 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3cc4c(c5ccccc35)C3(c5ccccc5-c5ccccc53)c3c-4c4ccccc4c4cc(N(c5ccccc5)c5cccc(-c6cccc(-c7cccc(-c8ccccc8N(c8ccccc8)c8cc9c(c%10ccccc8%10)C8(c%10ccccc%10-c%10ccccc%108)c8c-9c9ccccc9c9cc(N(c%10ccccc%10)c%10ccccc%10-c%10ccccc%10)ccc89)c7)c6)c5)ccc34)c2)cc1.

What is the InChIKey of 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

The InChIKey is KWKUGWRTPAFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H94N4/c1-7-43-95(44-8-1)100-50-41-62-108(89-100)149(105-57-15-5-16-58-105)137-93-129-139-121-73-23-19-65-113(121)127-91-109(83-85-125(127)143(139)145(141(129)123-75-25-21-71-119(123)137)131-77-33-27-67-115(131)116-68-28-34-78-132(116)145)147(103-53-11-3-12-54-103)107-61-42-51-101(90-107)98-48-39-47-97(87-98)99-49-40-52-102(88-99)112-64-32-38-82-136(112)150(106-59-17-6-18-60-106)138-94-130-140-122-74-24-20-66-114(122)128-92-110(148(104-55-13-4-14-56-104)135-81-37-31-63-111(135)96-45-9-2-10-46-96)84-86-126(128)144(140)146(142(130)124-76-26-22-72-120(124)138)133-79-35-29-69-117(133)118-70-30-36-80-134(118)146/h1-94H.

What are the key properties of 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine?

5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine has a molecular weight of 1904.39 g/mol, XLogP of 39.51, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',17-N'-diphenyl-17-N'-(3-phenylphenyl)-5-N'-[3-[3-[3-[2-(N-[5'-(N-(2-phenylphenyl)anilino)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-17'-yl]anilino)phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]-5',17'-diamine is sourced from PubChem (CID 174249767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).