2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline

C67H54N2 — CID 145290993

IUPAC2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline
SMILESC1=CCCC(N(C2=CCCC=C2)c2ccc(-c3cccc4c3-c3ccccc3C43C4=C(C=CC(c5ccc(N(c6ccccc6)c6ccccc6C6=CCCC=C6)cc5)C4)c4ccccc43)cc2)=C1
InChIInChI=1S/C67H54N2/c1-5-20-48(21-6-1)56-28-15-18-35-65(56)69(53-26-11-4-12-27-53)55-41-36-47(37-42-55)50-40-45-59-58-29-13-16-32-61(58)67(64(59)46-50)62-33-17-14-30-60(62)66-57(31-19-34-63(66)67)49-38-43-54(44-39-49)68(51-22-7-2-8-23-51)52-24-9-3-10-25-52/h2,4-5,7,9,11-22,24-45,50H,1,3,6,8,10,23,46H2
InChIKeyZMKQLDSMYUBSAF-UHFFFAOYSA-N
MW887.18 g/mol
LogP17.66
Rot. Bonds9

About 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline

2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline (PubChem CID 145290993) has the molecular formula C67H54N2 and a molecular weight of 887.18 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline
PubChem CID145290993
Molecular FormulaC67H54N2
Molecular Weight887.18 g/mol
Exact Mass886.43
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline
SMILESC1=CCCC(N(C2=CCCC=C2)c2ccc(-c3cccc4c3-c3ccccc3C43C4=C(C=CC(c5ccc(N(c6ccccc6)c6ccccc6C6=CCCC=C6)cc5)C4)c4ccccc43)cc2)=C1
InChIInChI=1S/C67H54N2/c1-5-20-48(21-6-1)56-28-15-18-35-65(56)69(53-26-11-4-12-27-53)55-41-36-47(37-42-55)50-40-45-59-58-29-13-16-32-61(58)67(64(59)46-50)62-33-17-14-30-60(62)66-57(31-19-34-63(66)67)49-38-43-54(44-39-49)68(51-22-7-2-8-23-51)52-24-9-3-10-25-52/h2,4-5,7,9,11-22,24-45,50H,1,3,6,8,10,23,46H2
InChIKeyZMKQLDSMYUBSAF-UHFFFAOYSA-N
XLogP17.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.18
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667
4-N'-cyclohexa-1,5-dien-1-yl-2-N-phenyl-4-N'-(6-phenylcyclohexa-2,4-dien-1-yl)-2-N-(4-phenylphenyl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-2,4'-diamine
CID 135218208
2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
CID 142480920
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
2-N-cyclohexa-1,3-dien-1-yl-2-N,5-N,5-N,9,9-pentakis-phenylfluorene-2,5-diamine
CID 142424805
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582682
N-[4-[1-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]-N-[(1E,3Z)-7-phenylcycloocta-1,3,5-trien-1-yl]-10,11-dihydro-9H-cycloocta[a]inden-7-amine
CID 174036683
7'-chloro-N,N-bis(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 142521254
N-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 123261989
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline (CID 145290993) is 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline is C1=CCCC(N(C2=CCCC=C2)c2ccc(-c3cccc4c3-c3ccccc3C43C4=C(C=CC(c5ccc(N(c6ccccc6)c6ccccc6C6=CCCC=C6)cc5)C4)c4ccccc43)cc2)=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline?
The InChIKey is ZMKQLDSMYUBSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H54N2/c1-5-20-48(21-6-1)56-28-15-18-35-65(56)69(53-26-11-4-12-27-53)55-41-36-47(37-42-55)50-40-45-59-58-29-13-16-32-61(58)67(64(59)46-50)62-33-17-14-30-60(62)66-57(31-19-34-63(66)67)49-38-43-54(44-39-49)68(51-22-7-2-8-23-51)52-24-9-3-10-25-52/h2,4-5,7,9,11-22,24-45,50H,1,3,6,8,10,23,46H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline?
2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline has a molecular weight of 887.18 g/mol, XLogP of 17.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-[4-[4'-[4-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]phenyl]spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 145290993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).