3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine

C58H47NO — CID 138488855

IUPAC3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine
SMILESC=C/C=C\c1c(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)C2C=CC(C3(C4=CC=CCC4)C4=C(C=CCC4)c4ccccc43)=CC2)cc2ccccc2c1C
InChIInChI=1S/C58H47NO/c1-3-4-20-47-39(2)46-21-9-8-17-41(46)38-55(47)59(44-34-30-40(31-35-44)48-25-16-26-52-51-24-12-15-29-56(51)60-57(48)52)45-36-32-43(33-37-45)58(42-18-6-5-7-19-42)53-27-13-10-22-49(53)50-23-11-14-28-54(50)58/h3-6,8-13,15-18,20-27,29-36,38,45H,1,7,14,19,28,37H2,2H3/b20-4-
InChIKeyDOFPVZFNDPAMQK-YQLNASGTSA-N
MW774.02 g/mol
LogP15.64
Rot. Bonds8

About 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine

3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine (PubChem CID 138488855) has the molecular formula C58H47NO and a molecular weight of 774.02 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine
PubChem CID138488855
Molecular FormulaC58H47NO
Molecular Weight774.02 g/mol
Exact Mass773.37
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine
SMILESC=C/C=C\c1c(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)C2C=CC(C3(C4=CC=CCC4)C4=C(C=CCC4)c4ccccc43)=CC2)cc2ccccc2c1C
InChIInChI=1S/C58H47NO/c1-3-4-20-47-39(2)46-21-9-8-17-41(46)38-55(47)59(44-34-30-40(31-35-44)48-25-16-26-52-51-24-12-15-29-56(51)60-57(48)52)45-36-32-43(33-37-45)58(42-18-6-5-7-19-42)53-27-13-10-22-49(53)50-23-11-14-28-54(50)58/h3-6,8-13,15-18,20-27,29-36,38,45H,1,7,14,19,28,37H2,2H3/b20-4-
InChIKeyDOFPVZFNDPAMQK-YQLNASGTSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.02
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
CID 166705641
9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
CID 144660484
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine
CID 142481057
2-(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]aniline
CID 170294513
1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine
CID 139541046
N-[4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidene-4,5,6,7-tetrahydro-1-benzofuran-7-yl]cyclohexa-2,4-dien-1-yl]-N-[6-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-5,6-dihydrofluoren-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]-3-dibenzofuran-4-ylaniline
CID 156827013
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929447
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methylspiro[1H-fluorene-9,9'-fluorene]-2-yl)phenyl]-4-phenylaniline
CID 167231705
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-spiro[3,4-dihydrofluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenyl)aniline
CID 171799116

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine (CID 138488855) is 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine is C=C/C=C\c1c(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)C2C=CC(C3(C4=CC=CCC4)C4=C(C=CCC4)c4ccccc43)=CC2)cc2ccccc2c1C.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine?
The InChIKey is DOFPVZFNDPAMQK-YQLNASGTSA-N. The full InChI is InChI=1S/C58H47NO/c1-3-4-20-47-39(2)46-21-9-8-17-41(46)38-55(47)59(44-34-30-40(31-35-44)48-25-16-26-52-51-24-12-15-29-56(51)60-57(48)52)45-36-32-43(33-37-45)58(42-18-6-5-7-19-42)53-27-13-10-22-49(53)50-23-11-14-28-54(50)58/h3-6,8-13,15-18,20-27,29-36,38,45H,1,7,14,19,28,37H2,2H3/b20-4-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine?
3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine has a molecular weight of 774.02 g/mol, XLogP of 15.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine is sourced from PubChem (CID 138488855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).