9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine

C51H39NO2 — CID 139762357

IUPAC9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine
SMILESCOc1ccc(C2(c3ccc(OC)c(-c4ccccc4)c3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1-c1ccccc1
InChIInChI=1S/C51H39NO2/c1-53-49-31-27-38(33-45(49)36-17-7-3-8-18-36)51(39-28-32-50(54-2)46(34-39)37-19-9-4-10-20-37)47-26-16-15-25-43(47)44-30-29-42(35-48(44)51)52(40-21-11-5-12-22-40)41-23-13-6-14-24-41/h3-35H,1-2H3
InChIKeyOWICMOZRECBARS-UHFFFAOYSA-N
MW697.88 g/mol
LogP12.87
Rot. Bonds9

About 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine

9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine (PubChem CID 139762357) has the molecular formula C51H39NO2 and a molecular weight of 697.88 g/mol. Its IUPAC name is 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine
PubChem CID139762357
Molecular FormulaC51H39NO2
Molecular Weight697.88 g/mol
Exact Mass697.30
IUPAC Name9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine
SMILESCOc1ccc(C2(c3ccc(OC)c(-c4ccccc4)c3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1-c1ccccc1
InChIInChI=1S/C51H39NO2/c1-53-49-31-27-38(33-45(49)36-17-7-3-8-18-36)51(39-28-32-50(54-2)46(34-39)37-19-9-4-10-20-37)47-26-16-15-25-43(47)44-30-29-42(35-48(44)51)52(40-21-11-5-12-22-40)41-23-13-6-14-24-41/h3-35H,1-2H3
InChIKeyOWICMOZRECBARS-UHFFFAOYSA-N
XLogP12.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.88
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
CID 146434390
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
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
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine?
The IUPAC name of 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine (CID 139762357) is 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine?
The canonical SMILES for 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine is COc1ccc(C2(c3ccc(OC)c(-c4ccccc4)c3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)cc1-c1ccccc1.
What is the InChIKey of 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine?
The InChIKey is OWICMOZRECBARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NO2/c1-53-49-31-27-38(33-45(49)36-17-7-3-8-18-36)51(39-28-32-50(54-2)46(34-39)37-19-9-4-10-20-37)47-26-16-15-25-43(47)44-30-29-42(35-48(44)51)52(40-21-11-5-12-22-40)41-23-13-6-14-24-41/h3-35H,1-2H3.
What are the key properties of 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine?
9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine has a molecular weight of 697.88 g/mol, XLogP of 12.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 139762357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).