9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol

C57H39NO3 — CID 146504428

IUPAC9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
SMILESOC1(c2ccc(N(c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H39NO3/c59-55(49-19-7-1-13-43(49)44-14-2-8-20-50(44)55)37-25-31-40(32-26-37)58(41-33-27-38(28-34-41)56(60)51-21-9-3-15-45(51)46-16-4-10-22-52(46)56)42-35-29-39(30-36-42)57(61)53-23-11-5-17-47(53)48-18-6-12-24-54(48)57/h1-36,59-61H
InChIKeyBNJFBQWVYYQITG-UHFFFAOYSA-N
MW785.94 g/mol
LogP11.95
Rot. Bonds6

About 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol

9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol (PubChem CID 146504428) has the molecular formula C57H39NO3 and a molecular weight of 785.94 g/mol. Its IUPAC name is 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
PubChem CID146504428
Molecular FormulaC57H39NO3
Molecular Weight785.94 g/mol
Exact Mass785.29
IUPAC Name9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol
SMILESOC1(c2ccc(N(c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H39NO3/c59-55(49-19-7-1-13-43(49)44-14-2-8-20-50(44)55)37-25-31-40(32-26-37)58(41-33-27-38(28-34-41)56(60)51-21-9-3-15-45(51)46-16-4-10-22-52(46)56)42-35-29-39(30-36-42)57(61)53-23-11-5-17-47(53)48-18-6-12-24-54(48)57/h1-36,59-61H
InChIKeyBNJFBQWVYYQITG-UHFFFAOYSA-N
XLogP11.95
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.94
LogP ≤ 511.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol with MolForge

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Related Compounds

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
4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N-[4-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)phenyl]-N-phenylaniline
CID 134944054
2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
9-[4-[4-[4-(9-hydroxyfluoren-9-yl)phenoxy]butoxy]phenyl]fluoren-9-ol
CID 118667902
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol
CID 164545267
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
9-(3,4,5-trifluorophenyl)fluoren-9-ol
CID 154343260
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
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol?
The IUPAC name of 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol (CID 146504428) is 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol.
What is the SMILES notation for 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol?
The canonical SMILES for 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol is OC1(c2ccc(N(c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)c3ccc(C4(O)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol?
The InChIKey is BNJFBQWVYYQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO3/c59-55(49-19-7-1-13-43(49)44-14-2-8-20-50(44)55)37-25-31-40(32-26-37)58(41-33-27-38(28-34-41)56(60)51-21-9-3-15-45(51)46-16-4-10-22-52(46)56)42-35-29-39(30-36-42)57(61)53-23-11-5-17-47(53)48-18-6-12-24-54(48)57/h1-36,59-61H.
What are the key properties of 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol?
9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol has a molecular weight of 785.94 g/mol, XLogP of 11.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(9-hydroxyfluoren-9-yl)-N-[4-(9-hydroxyfluoren-9-yl)phenyl]anilino]phenyl]fluoren-9-ol is sourced from PubChem (CID 146504428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).