1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine

C67H48N2 — CID 71249416

IUPAC1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
SMILESC1=CCC2C(=C1)C1(c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c31)c1ccccc12
InChIInChI=1S/C67H48N2/c1-4-17-47(18-5-1)50-31-37-53(38-32-50)68(54-39-33-51(34-40-54)48-19-6-2-7-20-48)55-43-45-57(46-44-55)69(56-41-35-52(36-42-56)49-21-8-3-9-22-49)65-30-16-26-61-60-25-12-15-29-64(60)67(66(61)65)62-27-13-10-23-58(62)59-24-11-14-28-63(59)67/h1-23,25-46,59H,24H2
InChIKeyUSXXWIYRIVWGGA-UHFFFAOYSA-N
MW881.14 g/mol
LogP17.93
Rot. Bonds9

About 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine

1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine (PubChem CID 71249416) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
PubChem CID71249416
Molecular FormulaC67H48N2
Molecular Weight881.14 g/mol
Exact Mass880.38
IUPAC Name1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine
SMILESC1=CCC2C(=C1)C1(c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c31)c1ccccc12
InChIInChI=1S/C67H48N2/c1-4-17-47(18-5-1)50-31-37-53(38-32-50)68(54-39-33-51(34-40-54)48-19-6-2-7-20-48)55-43-45-57(46-44-55)69(56-41-35-52(36-42-56)49-21-8-3-9-22-49)65-30-16-26-61-60-25-12-15-29-64(60)67(66(61)65)62-27-13-10-23-58(62)59-24-11-14-28-63(59)67/h1-23,25-46,59H,24H2
InChIKeyUSXXWIYRIVWGGA-UHFFFAOYSA-N
XLogP17.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine with MolForge

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Related Compounds

N,4-diphenyl-N-(4-spiro[4b,5-dihydrofluorene-9,12'-fluoreno[2,1-b][1]benzothiole]-1-ylphenyl)aniline
CID 130380191
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
4-naphthalen-2-yl-N-phenyl-N-[4-[11-(4-phenylphenyl)-4,4a-dihydrobenzo[b]fluoren-11-yl]phenyl]aniline
CID 144857237
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614
CID 134451141
CID 134451141
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
spiro[4,4a-dihydrofluorene-9,9'-xanthene]
CID 155576891
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
1'-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[8,8a-dihydrofluorene-9,9'-fluorene]-1-amine
CID 123911645

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine (CID 71249416) is 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine is C1=CCC2C(=C1)C1(c3ccccc3-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)c31)c1ccccc12.
What is the InChIKey of 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine?
The InChIKey is USXXWIYRIVWGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-4-17-47(18-5-1)50-31-37-53(38-32-50)68(54-39-33-51(34-40-54)48-19-6-2-7-20-48)55-43-45-57(46-44-55)69(56-41-35-52(36-42-56)49-21-8-3-9-22-49)65-30-16-26-61-60-25-12-15-29-64(60)67(66(61)65)62-27-13-10-23-58(62)59-24-11-14-28-63(59)67/h1-23,25-46,59H,24H2.
What are the key properties of 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine?
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine has a molecular weight of 881.14 g/mol, XLogP of 17.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-spiro[4,4a-dihydrofluorene-9,9'-fluorene]-1'-ylbenzene-1,4-diamine is sourced from PubChem (CID 71249416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).