N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine

C159H92N6O2S — CID 163617396

About N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine

N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine (PubChem CID 163617396) has the molecular formula C159H92N6O2S and a molecular weight of 2150.59 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine
• PubChem CID: 163617396
• Molecular Formula: C159H92N6O2S
• Molecular Weight: 2150.59 g/mol
• Exact Mass: 2148.70
• IUPAC Name: N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine
• SMILES: c1ccc(N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2cccc(-c4ccc5cc6c(cc5c4)-c4ccc(N(c5ccccc5)c5cccc7c5sc5cc(-c8ccc9cc%10c(cc9c8)-c8cc(N(c9ccccc9)c9cccc%11oc%12ccccc%12c9%11)ccc8C%108c9ccccc9-n9c%10ccccc%10c%10cccc8c%109)ccc57)cc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)c23)cc1
• InChI: InChI=1S/C159H92N6O2S/c1-4-35-102(36-5-1)160(143-63-32-68-148-151(143)118-44-15-25-66-146(118)166-148)105-75-79-126-124(90-105)122-85-100-81-95(69-70-96(100)88-135(122)158(126)128-52-17-23-61-141(128)164-138-58-20-13-42-111(138)115-47-27-55-131(158)153(115)164)98-73-77-113-117-49-29-65-145(156(117)168-149(113)89-98)162(104-39-8-3-9-40-104)107-74-78-109-120-84-101-82-99(72-71-97(101)87-133(120)159(136(109)92-107)129-53-18-24-62-142(129)165-139-59-21-14-43-112(139)116-48-28-56-132(159)154(116)165)108-45-31-67-147-150(108)119-50-30-64-144(155(119)167-147)161(103-37-6-2-7-38-103)106-76-80-125-123(91-106)121-83-93-33-10-11-34-94(93)86-134(121)157(125)127-51-16-22-60-140(127)163-137-57-19-12-41-110(137)114-46-26-54-130(157)152(114)163/h1-92H
• InChIKey: HLDMDIIZGSOEKV-UHFFFAOYSA-N
• XLogP: 42.38
• TPSA: 50.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2150.59
LogP ≤ 5	42.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine?

The IUPAC name of N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine (CID 163617396) is N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine?

The canonical SMILES for N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine is c1ccc(N(c2ccc3c(c2)-c2cc4ccccc4cc2C32c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc3c2oc2cccc(-c4ccc5cc6c(cc5c4)-c4ccc(N(c5ccccc5)c5cccc7c5sc5cc(-c8ccc9cc%10c(cc9c8)-c8cc(N(c9ccccc9)c9cccc%11oc%12ccccc%12c9%11)ccc8C%108c9ccccc9-n9c%10ccccc%10c%10cccc8c%109)ccc57)cc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)c23)cc1.

What is the InChIKey of N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine?

The InChIKey is HLDMDIIZGSOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C159H92N6O2S/c1-4-35-102(36-5-1)160(143-63-32-68-148-151(143)118-44-15-25-66-146(118)166-148)105-75-79-126-124(90-105)122-85-100-81-95(69-70-96(100)88-135(122)158(126)128-52-17-23-61-141(128)164-138-58-20-13-42-111(138)115-47-27-55-131(158)153(115)164)98-73-77-113-117-49-29-65-145(156(117)168-149(113)89-98)162(104-39-8-3-9-40-104)107-74-78-109-120-84-101-82-99(72-71-97(101)87-133(120)159(136(109)92-107)129-53-18-24-62-142(129)165-139-59-21-14-43-112(139)116-48-28-56-132(159)154(116)165)108-45-31-67-147-150(108)119-50-30-64-144(155(119)167-147)161(103-37-6-2-7-38-103)106-76-80-125-123(91-106)121-83-93-33-10-11-34-94(93)86-134(121)157(125)127-51-16-22-60-140(127)163-137-57-19-12-41-110(137)114-46-26-54-130(157)152(114)163/h1-92H.

What are the key properties of N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine?

N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine has a molecular weight of 2150.59 g/mol, XLogP of 42.38, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-N-phenyl-7'-[6-(N-[7'-[6-(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-13,11'-benzo[b]fluorene]-3'-ylanilino)dibenzofuran-1-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-2'-yl]anilino)dibenzothiophen-3-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,11'-benzo[b]fluorene]-3'-amine is sourced from PubChem (CID 163617396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).