9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane

C78H57NO2 — CID 144616411

IUPAC9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane
SMILESCC.NC1(c2ccc(-c3ccc(C4(c5cc(C6(O)c7ccccc7-c7ccccc76)ccc5-c5ccc(C6(O)c7ccccc7-c7ccccc76)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C76H51NO2.C2H6/c77-74(66-27-11-3-19-58(66)59-20-4-12-28-67(59)74)52-41-35-49(36-42-52)48-33-39-51(40-34-48)73(64-25-9-1-17-56(64)57-18-2-10-26-65(57)73)72-47-54(76(79)70-31-15-7-23-62(70)63-24-8-16-32-71(63)76)45-46-55(72)50-37-43-53(44-38-50)75(78)68-29-13-5-21-60(68)61-22-6-14-30-69(61)75;1-2/h1-47,78-79H,77H2;1-2H3
InChIKeyWXTBIGHLSKIAGY-UHFFFAOYSA-N
MW1040.32 g/mol
LogP17.17
Rot. Bonds7

About 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane

9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane (PubChem CID 144616411) has the molecular formula C78H57NO2 and a molecular weight of 1040.32 g/mol. Its IUPAC name is 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane.

Molecular Properties

Compound Name9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane
PubChem CID144616411
Molecular FormulaC78H57NO2
Molecular Weight1040.32 g/mol
Exact Mass1039.44
IUPAC Name9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane
SMILESCC.NC1(c2ccc(-c3ccc(C4(c5cc(C6(O)c7ccccc7-c7ccccc76)ccc5-c5ccc(C6(O)c7ccccc7-c7ccccc76)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C76H51NO2.C2H6/c77-74(66-27-11-3-19-58(66)59-20-4-12-28-67(59)74)52-41-35-49(36-42-52)48-33-39-51(40-34-48)73(64-25-9-1-17-56(64)57-18-2-10-26-65(57)73)72-47-54(76(79)70-31-15-7-23-62(70)63-24-8-16-32-71(63)76)45-46-55(72)50-37-43-53(44-38-50)75(78)68-29-13-5-21-60(68)61-22-6-14-30-69(61)75;1-2/h1-47,78-79H,77H2;1-2H3
InChIKeyWXTBIGHLSKIAGY-UHFFFAOYSA-N
XLogP17.17
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.32
LogP ≤ 517.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
9-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]phenyl]-2-[9-hydroxy-9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-3-yl]fluoren-9-ol
CID 146637137
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
14-(3,5-diphenylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 121391754
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
2-[2-[9-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];2-[3-[9-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[3-[9-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene];3-[4-[9-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-9-yl]phenyl]-9,9'-spirobi[fluorene]
CID 158592384
CID 89138178
CID 89138178
9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
CID 146504428

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane?
The IUPAC name of 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane (CID 144616411) is 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane.
What is the SMILES notation for 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane?
The canonical SMILES for 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane is CC.NC1(c2ccc(-c3ccc(C4(c5cc(C6(O)c7ccccc7-c7ccccc76)ccc5-c5ccc(C6(O)c7ccccc7-c7ccccc76)cc5)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane?
The InChIKey is WXTBIGHLSKIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51NO2.C2H6/c77-74(66-27-11-3-19-58(66)59-20-4-12-28-67(59)74)52-41-35-49(36-42-52)48-33-39-51(40-34-48)73(64-25-9-1-17-56(64)57-18-2-10-26-65(57)73)72-47-54(76(79)70-31-15-7-23-62(70)63-24-8-16-32-71(63)76)45-46-55(72)50-37-43-53(44-38-50)75(78)68-29-13-5-21-60(68)61-22-6-14-30-69(61)75;1-2/h1-47,78-79H,77H2;1-2H3.
What are the key properties of 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane?
9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane has a molecular weight of 1040.32 g/mol, XLogP of 17.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[9-[4-[4-(9-aminofluoren-9-yl)phenyl]phenyl]fluoren-9-yl]-4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol;ethane is sourced from PubChem (CID 144616411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).