N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine

C152H94N4OS — CID 167118194

About N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine

N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine (PubChem CID 167118194) has the molecular formula C152H94N4OS and a molecular weight of 2024.52 g/mol. Its IUPAC name is N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine
• PubChem CID: 167118194
• Molecular Formula: C152H94N4OS
• Molecular Weight: 2024.52 g/mol
• Exact Mass: 2022.71
• IUPAC Name: N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine
• SMILES: Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc(-c6c(C)ccc7c6c6cc(C)cc8c6n7-c6ccc(-c7ccc(N(c9ccc%10c(c9)-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c9cccc%10c9sc9ccccc9%10)cc7)cc6C86c7ccccc7-c7ccccc76)ccc54)cc2)cc1C31c2ccccc2-c2ccccc21
• InChI: InChI=1S/C152H94N4OS/c1-87-55-72-134-114(77-87)116-78-88(2)80-132-146(116)155(134)135-74-62-93(83-130(135)151(132)120-43-18-7-31-102(120)103-32-8-19-44-121(103)151)91-57-64-96(65-58-91)153(99-69-76-141-115(86-99)108-37-14-25-53-140(108)157-141)137-51-28-50-129-144(137)111-39-13-24-49-126(111)150(129)125-48-23-11-35-106(125)112-82-95(61-70-127(112)150)143-90(4)56-73-138-145(143)117-79-89(3)81-133-147(117)156(138)136-75-63-94(84-131(136)152(133)122-45-20-9-33-104(122)105-34-10-21-46-123(105)152)92-59-66-97(67-60-92)154(139-52-27-40-110-109-38-15-26-54-142(109)158-148(110)139)98-68-71-128-113(85-98)107-36-12-22-47-124(107)149(128)118-41-16-5-29-100(118)101-30-6-17-42-119(101)149/h5-86H,1-4H3
• InChIKey: ZCLNWCBHXHQKIW-UHFFFAOYSA-N
• XLogP: 39.36
• TPSA: 29.48 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2024.52
LogP ≤ 5	39.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine?

The IUPAC name of N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine (CID 167118194) is N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine.

What is the SMILES notation for N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine?

The canonical SMILES for N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine is Cc1ccc2c(c1)c1cc(C)cc3c1n2-c1ccc(-c2ccc(N(c4ccc5oc6ccccc6c5c4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5cc(-c6c(C)ccc7c6c6cc(C)cc8c6n7-c6ccc(-c7ccc(N(c9ccc%10c(c9)-c9ccccc9C%109c%10ccccc%10-c%10ccccc%109)c9cccc%10c9sc9ccccc9%10)cc7)cc6C86c7ccccc7-c7ccccc76)ccc54)cc2)cc1C31c2ccccc2-c2ccccc21.

What is the InChIKey of N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine?

The InChIKey is ZCLNWCBHXHQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H94N4OS/c1-87-55-72-134-114(77-87)116-78-88(2)80-132-146(116)155(134)135-74-62-93(83-130(135)151(132)120-43-18-7-31-102(120)103-32-8-19-44-121(103)151)91-57-64-96(65-58-91)153(99-69-76-141-115(86-99)108-37-14-25-53-140(108)157-141)137-51-28-50-129-144(137)111-39-13-24-49-126(111)150(129)125-48-23-11-35-106(125)112-82-95(61-70-127(112)150)143-90(4)56-73-138-145(143)117-79-89(3)81-133-147(117)156(138)136-75-63-94(84-131(136)152(133)122-45-20-9-33-104(122)105-34-10-21-46-123(105)152)92-59-66-97(67-60-92)154(139-52-27-40-110-109-38-15-26-54-142(109)158-148(110)139)98-68-71-128-113(85-98)107-36-12-22-47-124(107)149(128)118-41-16-5-29-100(118)101-30-6-17-42-119(101)149/h5-86H,1-4H3.

What are the key properties of N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine?

N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 2024.52 g/mol, XLogP of 39.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3'-[16-[4-[dibenzothiophen-4-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-6-yl]-9,9'-spirobi[fluorene]-4-yl]-N-[4-(5,10-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 167118194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).