2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol

C65H45NO — CID 145292020

IUPAC2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
SMILESCc1c(C2(c3ccc4ccccc4c3O)c3ccccc3-c3c(-c4ccc(Nc5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cccc32)ccc2ccccc12
InChIInChI=1S/C65H45NO/c1-42-49-24-10-8-18-43(49)36-40-54(42)65(59-41-37-44-19-9-11-25-51(44)63(59)67)56-30-15-12-26-52(56)61-50(28-16-31-57(61)65)45-34-38-48(39-35-45)66-60-33-17-32-58-62(60)53-27-13-14-29-55(53)64(58,46-20-4-2-5-21-46)47-22-6-3-7-23-47/h2-41,66-67H,1H3
InChIKeyAVOSLBLFDOQUOU-UHFFFAOYSA-N
MW856.08 g/mol
LogP16.14
Rot. Bonds7

About 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol

2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol (PubChem CID 145292020) has the molecular formula C65H45NO and a molecular weight of 856.08 g/mol. Its IUPAC name is 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
PubChem CID145292020
Molecular FormulaC65H45NO
Molecular Weight856.08 g/mol
Exact Mass855.35
IUPAC Name2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
SMILESCc1c(C2(c3ccc4ccccc4c3O)c3ccccc3-c3c(-c4ccc(Nc5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cccc32)ccc2ccccc12
InChIInChI=1S/C65H45NO/c1-42-49-24-10-8-18-43(49)36-40-54(42)65(59-41-37-44-19-9-11-25-51(44)63(59)67)56-30-15-12-26-52(56)61-50(28-16-31-57(61)65)45-34-38-48(39-35-45)66-60-33-17-32-58-62(60)53-27-13-14-29-55(53)64(58,46-20-4-2-5-21-46)47-22-6-3-7-23-47/h2-41,66-67H,1H3
InChIKeyAVOSLBLFDOQUOU-UHFFFAOYSA-N
XLogP16.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.08
LogP ≤ 516.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol with MolForge

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Related Compounds

2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol
CID 135229500
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 172544729
N-[4-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 177114125
9,9-diphenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 155297416
9-phenyl-N-(2-phenylphenyl)-9-(4-phenylphenyl)fluoren-4-amine
CID 155297478
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122049
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
The IUPAC name of 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol (CID 145292020) is 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
The canonical SMILES for 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol is Cc1c(C2(c3ccc4ccccc4c3O)c3ccccc3-c3c(-c4ccc(Nc5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cccc32)ccc2ccccc12.
What is the InChIKey of 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
The InChIKey is AVOSLBLFDOQUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45NO/c1-42-49-24-10-8-18-43(49)36-40-54(42)65(59-41-37-44-19-9-11-25-51(44)63(59)67)56-30-15-12-26-52(56)61-50(28-16-31-57(61)65)45-34-38-48(39-35-45)66-60-33-17-32-58-62(60)53-27-13-14-29-55(53)64(58,46-20-4-2-5-21-46)47-22-6-3-7-23-47/h2-41,66-67H,1H3.
What are the key properties of 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol?
2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol has a molecular weight of 856.08 g/mol, XLogP of 16.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(9,9-diphenylfluoren-4-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol is sourced from PubChem (CID 145292020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).