N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline

C55H37N — CID 130380030

IUPACN,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H37N/c1-3-14-38(15-4-1)40-30-34-44(35-31-40)56(43-16-5-2-6-17-43)45-36-32-41(33-37-45)39-26-28-42(29-27-39)46-21-13-22-50-49-20-9-12-25-53(49)55(54(46)50)51-23-10-7-18-47(51)48-19-8-11-24-52(48)55/h1-37H
InChIKeyFHQFGNLFZHWEJC-UHFFFAOYSA-N
MW711.91 g/mol
LogP14.50
Rot. Bonds6

About N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline (PubChem CID 130380030) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
PubChem CID130380030
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC NameN,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H37N/c1-3-14-38(15-4-1)40-30-34-44(35-31-40)56(43-16-5-2-6-17-43)45-36-32-41(33-37-45)39-26-28-42(29-27-39)46-21-13-22-50-49-20-9-12-25-53(49)55(54(46)50)51-23-10-7-18-47(51)48-19-8-11-24-52(48)55/h1-37H
InChIKeyFHQFGNLFZHWEJC-UHFFFAOYSA-N
XLogP14.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-(1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 118049427
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
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
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 170421355
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
CID 134451141
CID 134451141
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
CID 167177854
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

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline (CID 130380030) is N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline?
The InChIKey is FHQFGNLFZHWEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-3-14-38(15-4-1)40-30-34-44(35-31-40)56(43-16-5-2-6-17-43)45-36-32-41(33-37-45)39-26-28-42(29-27-39)46-21-13-22-50-49-20-9-12-25-53(49)55(54(46)50)51-23-10-7-18-47(51)48-19-8-11-24-52(48)55/h1-37H.
What are the key properties of N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline has a molecular weight of 711.91 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 130380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).