2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine

C127H82N2O4 — CID 172539033

IUPAC2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc65)cc43)cc2)cc1
InChIInChI=1S/C127H82N2O4/c1-3-81-45-65-95(66-46-81)130-97-69-53-87(54-70-97)125(85-25-7-5-8-26-85)113-39-17-11-29-101(113)105-73-61-91(77-117(105)125)128(89-57-49-83(50-58-89)99-35-23-37-111-109-33-15-21-43-121(109)132-123(99)111)93-63-75-107-103-31-13-19-41-115(103)127(119(107)79-93)116-42-20-14-32-104(116)108-76-64-94(80-120(108)127)129(90-59-51-84(52-60-90)100-36-24-38-112-110-34-16-22-44-122(110)133-124(100)112)92-62-74-106-102-30-12-18-40-114(102)126(118(106)78-92,86-27-9-6-10-28-86)88-55-71-98(72-56-88)131-96-67-47-82(4-2)48-68-96/h3-80H,1-2H2
InChIKeyCRKROZAYKBIKIE-UHFFFAOYSA-N
MW1700.06 g/mol
LogP33.70
Rot. Bonds18

About 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine

2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 172539033) has the molecular formula C127H82N2O4 and a molecular weight of 1700.06 g/mol. Its IUPAC name is 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID172539033
Molecular FormulaC127H82N2O4
Molecular Weight1700.06 g/mol
Exact Mass1698.63
IUPAC Name2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc65)cc43)cc2)cc1
InChIInChI=1S/C127H82N2O4/c1-3-81-45-65-95(66-46-81)130-97-69-53-87(54-70-97)125(85-25-7-5-8-26-85)113-39-17-11-29-101(113)105-73-61-91(77-117(105)125)128(89-57-49-83(50-58-89)99-35-23-37-111-109-33-15-21-43-121(109)132-123(99)111)93-63-75-107-103-31-13-19-41-115(103)127(119(107)79-93)116-42-20-14-32-104(116)108-76-64-94(80-120(108)127)129(90-59-51-84(52-60-90)100-36-24-38-112-110-34-16-22-44-122(110)133-124(100)112)92-62-74-106-102-30-12-18-40-114(102)126(118(106)78-92,86-27-9-6-10-28-86)88-55-71-98(72-56-88)131-96-67-47-82(4-2)48-68-96/h3-80H,1-2H2
InChIKeyCRKROZAYKBIKIE-UHFFFAOYSA-N
XLogP33.70
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001700.06
LogP ≤ 533.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-[4-[dibenzofuran-2-yl-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]amino]phenyl]phenyl]-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]dibenzofuran-2-amine
CID 170413578
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
2-N,2-N'-di(dibenzofuran-3-yl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 170413785
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 172546982
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
CID 177262601
2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-2,8-diamine
CID 177262708

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine (CID 172539033) is 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc65)cc43)cc2)cc1.
What is the InChIKey of 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is CRKROZAYKBIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H82N2O4/c1-3-81-45-65-95(66-46-81)130-97-69-53-87(54-70-97)125(85-25-7-5-8-26-85)113-39-17-11-29-101(113)105-73-61-91(77-117(105)125)128(89-57-49-83(50-58-89)99-35-23-37-111-109-33-15-21-43-121(109)132-123(99)111)93-63-75-107-103-31-13-19-41-115(103)127(119(107)79-93)116-42-20-14-32-104(116)108-76-64-94(80-120(108)127)129(90-59-51-84(52-60-90)100-36-24-38-112-110-34-16-22-44-122(110)133-124(100)112)92-62-74-106-102-30-12-18-40-114(102)126(118(106)78-92,86-27-9-6-10-28-86)88-55-71-98(72-56-88)131-96-67-47-82(4-2)48-68-96/h3-80H,1-2H2.
What are the key properties of 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1700.06 g/mol, XLogP of 33.70, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 172539033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).