3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

C131H89N3O2 — CID 167118119

About 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 167118119) has the molecular formula C131H89N3O2 and a molecular weight of 1737.17 g/mol. Its IUPAC name is 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
• PubChem CID: 167118119
• Molecular Formula: C131H89N3O2
• Molecular Weight: 1737.17 g/mol
• Exact Mass: 1735.70
• IUPAC Name: 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(N(c6ccc7c(c6)C(C)(C)c6ccc8c(c6-7)-c6ccccc6C86c7ccccc7-c7ccccc76)c6cccc7c6oc6ccccc67)c5)c4)cc4c3oc3ccccc34)cc21
• InChI: InChI=1S/C131H89N3O2/c1-127(2)103-47-19-10-37-89(103)94-64-61-87(75-114(94)127)134(88-63-66-101-116(77-88)129(5,6)111-68-70-113-124(122(101)111)99-45-16-25-53-109(99)131(113)106-50-22-13-40-92(106)93-41-14-23-51-107(93)131)118-73-81(72-102-96-43-18-27-56-120(96)136-126(102)118)80-33-28-34-83(71-80)132(82-59-57-79(58-60-82)78-31-8-7-9-32-78)84-35-29-36-85(74-84)133(117-54-30-46-97-95-42-17-26-55-119(95)135-125(97)117)86-62-65-100-115(76-86)128(3,4)110-67-69-112-123(121(100)110)98-44-15-24-52-108(98)130(112)104-48-20-11-38-90(104)91-39-12-21-49-105(91)130/h7-77H,1-6H3
• InChIKey: UOIIUNSASXFNIP-UHFFFAOYSA-N
• XLogP: 34.83
• TPSA: 36.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1737.17
LogP ≤ 5	34.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 167118119) is 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(N(c6ccc7c(c6)C(C)(C)c6ccc8c(c6-7)-c6ccccc6C86c7ccccc7-c7ccccc76)c6cccc7c6oc6ccccc67)c5)c4)cc4c3oc3ccccc34)cc21.

What is the InChIKey of 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?

The InChIKey is UOIIUNSASXFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H89N3O2/c1-127(2)103-47-19-10-37-89(103)94-64-61-87(75-114(94)127)134(88-63-66-101-116(77-88)129(5,6)111-68-70-113-124(122(101)111)99-45-16-25-53-109(99)131(113)106-50-22-13-40-92(106)93-41-14-23-51-107(93)131)118-73-81(72-102-96-43-18-27-56-120(96)136-126(102)118)80-33-28-34-83(71-80)132(82-59-57-79(58-60-82)78-31-8-7-9-32-78)84-35-29-36-85(74-84)133(117-54-30-46-97-95-42-17-26-55-119(95)135-125(97)117)86-62-65-100-115(76-86)128(3,4)110-67-69-112-123(121(100)110)98-44-15-24-52-108(98)130(112)104-48-20-11-38-90(104)91-39-12-21-49-105(91)130/h7-77H,1-6H3.

What are the key properties of 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?

3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 1737.17 g/mol, XLogP of 34.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzofuran-4-yl-1-N-[3-[4-[(9,9-dimethylfluoren-2-yl)-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)amino]dibenzofuran-2-yl]phenyl]-3-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 167118119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).