N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine

C164H100N2O4 — CID 154929960

About N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine

N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine (PubChem CID 154929960) has the molecular formula C164H100N2O4 and a molecular weight of 2162.61 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine
• PubChem CID: 154929960
• Molecular Formula: C164H100N2O4
• Molecular Weight: 2162.61 g/mol
• Exact Mass: 2160.77
• IUPAC Name: N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine
• SMILES: c1ccc(C2(c3cccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6c(N(c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)c7cccc(-c8ccc9c(c8)C8(c%10ccccc%10-9)c9ccc%10ccccc%10c9Oc9c8ccc8ccccc98)c7)cccc65)cc4)c3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)c4)ccc32)cc1
• InChI: InChI=1S/C164H100N2O4/c1-3-40-113(41-4-1)161(140-62-24-18-54-133(140)156-142(161)63-32-64-149(156)166(118-85-73-107(74-86-118)123-58-31-68-153-155(123)135-56-20-26-66-151(135)168-153)120-46-29-39-110(97-120)112-76-89-132-129-52-16-23-61-139(129)164(148(132)99-112)145-92-79-104-35-9-13-49-126(104)159(145)170-160-127-50-14-10-36-105(127)80-93-146(160)164)115-81-69-101(70-82-115)108-37-27-44-116(95-108)162(114-42-5-2-6-43-114)137-59-21-17-53-130(137)136-100-121(87-94-141(136)162)165(117-83-71-106(72-84-117)122-57-30-67-152-154(122)134-55-19-25-65-150(134)167-152)119-45-28-38-109(96-119)111-75-88-131-128-51-15-22-60-138(128)163(147(131)98-111)143-90-77-102-33-7-11-47-124(102)157(143)169-158-125-48-12-8-34-103(125)78-91-144(158)163/h1-100H
• InChIKey: PJIOQDMHCWCUMX-UHFFFAOYSA-N
• XLogP: 43.04
• TPSA: 51.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2162.61
LogP ≤ 5	43.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine?

The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine (CID 154929960) is N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine.

What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine?

The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine is c1ccc(C2(c3cccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6c(N(c7ccc(-c8cccc9oc%10ccccc%10c89)cc7)c7cccc(-c8ccc9c(c8)C8(c%10ccccc%10-9)c9ccc%10ccccc%10c9Oc9c8ccc8ccccc98)c7)cccc65)cc4)c3)c3ccccc3-c3cc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccc7ccccc7c6Oc6c5ccc5ccccc65)c4)ccc32)cc1.

What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine?

The InChIKey is PJIOQDMHCWCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C164H100N2O4/c1-3-40-113(41-4-1)161(140-62-24-18-54-133(140)156-142(161)63-32-64-149(156)166(118-85-73-107(74-86-118)123-58-31-68-153-155(123)135-56-20-26-66-151(135)168-153)120-46-29-39-110(97-120)112-76-89-132-129-52-16-23-61-139(129)164(148(132)99-112)145-92-79-104-35-9-13-49-126(104)159(145)170-160-127-50-14-10-36-105(127)80-93-146(160)164)115-81-69-101(70-82-115)108-37-27-44-116(95-108)162(114-42-5-2-6-43-114)137-59-21-17-53-130(137)136-100-121(87-94-141(136)162)165(117-83-71-106(72-84-117)122-57-30-67-152-154(122)134-55-19-25-65-150(134)167-152)119-45-28-38-109(96-119)111-75-88-131-128-51-15-22-60-138(128)163(147(131)98-111)143-90-77-102-33-7-11-47-124(102)157(143)169-158-125-48-12-8-34-103(125)78-91-144(158)163/h1-100H.

What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine?

N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine has a molecular weight of 2162.61 g/mol, XLogP of 43.04, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-1-ylphenyl)-9-[3-[4-[4-(4-dibenzofuran-1-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)anilino)-9-phenylfluoren-9-yl]phenyl]phenyl]-9-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine is sourced from PubChem (CID 154929960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).