N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine

C98H64N8O2 — CID 89177103

IUPACN-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESC1=CC2c3ccccc3C3(c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9nnc(-c%10ccccc%10)o9)ccc7-8)cc6)cc5)ccc4C4C=CC(c5nnc(-c6ccccc6)o5)=CC43)C2C=C1
InChIInChI=1S/C98H64N8O2/c1-5-23-63(24-6-1)93-101-103-95(107-93)65-45-53-77-79-55-51-71(59-87(79)97(85(77)57-65)81-35-17-13-31-73(81)74-32-14-18-36-82(74)97)105(67-27-9-3-10-28-67)69-47-41-61(42-48-69)91-92(100-90-40-22-21-39-89(90)99-91)62-43-49-70(50-44-62)106(68-29-11-4-12-30-68)72-52-56-80-78-54-46-66(96-104-102-94(108-96)64-25-7-2-8-26-64)58-86(78)98(88(80)60-72)83-37-19-15-33-75(83)76-34-16-20-38-84(76)98/h1-60,73,77,81,85H
InChIKeyYDNHJQXEKVUWBF-UHFFFAOYSA-N
MW1385.64 g/mol
LogP23.51
Rot. Bonds12

About N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine

N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 89177103) has the molecular formula C98H64N8O2 and a molecular weight of 1385.64 g/mol. Its IUPAC name is N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine
PubChem CID89177103
Molecular FormulaC98H64N8O2
Molecular Weight1385.64 g/mol
Exact Mass1384.52
IUPAC NameN-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESC1=CC2c3ccccc3C3(c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9nnc(-c%10ccccc%10)o9)ccc7-8)cc6)cc5)ccc4C4C=CC(c5nnc(-c6ccccc6)o5)=CC43)C2C=C1
InChIInChI=1S/C98H64N8O2/c1-5-23-63(24-6-1)93-101-103-95(107-93)65-45-53-77-79-55-51-71(59-87(79)97(85(77)57-65)81-35-17-13-31-73(81)74-32-14-18-36-82(74)97)105(67-27-9-3-10-28-67)69-47-41-61(42-48-69)91-92(100-90-40-22-21-39-89(90)99-91)62-43-49-70(50-44-62)106(68-29-11-4-12-30-68)72-52-56-80-78-54-46-66(96-104-102-94(108-96)64-25-7-2-8-26-64)58-86(78)98(88(80)60-72)83-37-19-15-33-75(83)76-34-16-20-38-84(76)98/h1-60,73,77,81,85H
InChIKeyYDNHJQXEKVUWBF-UHFFFAOYSA-N
XLogP23.51
TPSA110.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.64
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

2-phenyl-5-[4-[4-[4-[4-[3-[4-[4-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-[3-[4-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 159048422
4-[8-[(8aR)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-5-(9,9-dimethylfluoren-2-yl)-3-phenylquinoxalin-2-yl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline
CID 89177130
2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]spiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-2-yl]-1,3,4-oxadiazole
CID 146343122
2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-2-N',2-N',7-N',7-N'-tetraphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;dichloromethane
CID 139089806
2-[9,9-dimethyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-[9,9-diphenyl-7-[4-(3-phenylquinoxalin-2-yl)phenyl]fluoren-2-yl]-5-phenyl-1,3,4-oxadiazole;2-phenyl-5-[4-[4-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-phenyl-5-[7'-[4-(3-phenylquinoxalin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,4-oxadiazole
CID 158223952
2-[7-(9,9'-spirobi[fluorene]-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 123276399
4-[(E)-2-[7'-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N,N-diphenylaniline
CID 101168890
7'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58233363
N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline
CID 89177139
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358

Frequently Asked Questions

What is the IUPAC name of N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 89177103) is N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine is C1=CC2c3ccccc3C3(c4cc(N(c5ccccc5)c5ccc(-c6nc7ccccc7nc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9ccccc9-c9ccccc97)c7cc(-c9nnc(-c%10ccccc%10)o9)ccc7-8)cc6)cc5)ccc4C4C=CC(c5nnc(-c6ccccc6)o5)=CC43)C2C=C1.
What is the InChIKey of N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is YDNHJQXEKVUWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H64N8O2/c1-5-23-63(24-6-1)93-101-103-95(107-93)65-45-53-77-79-55-51-71(59-87(79)97(85(77)57-65)81-35-17-13-31-73(81)74-32-14-18-36-82(74)97)105(67-27-9-3-10-28-67)69-47-41-61(42-48-69)91-92(100-90-40-22-21-39-89(90)99-91)62-43-49-70(50-44-62)106(68-29-11-4-12-30-68)72-52-56-80-78-54-46-66(96-104-102-94(108-96)64-25-7-2-8-26-64)58-86(78)98(88(80)60-72)83-37-19-15-33-75(83)76-34-16-20-38-84(76)98/h1-60,73,77,81,85H.
What are the key properties of N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine?
N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1385.64 g/mol, XLogP of 23.51, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7'-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-[3-[4-(N-[7'-(5-phenyl-1,3,4-oxadiazol-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-4b,8a-dihydrofluorene]-2'-yl]anilino)phenyl]quinoxalin-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 89177103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).