4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C67H47NO — CID 156542134

IUPAC4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESC=C/C=C\c1c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6oc7ccc(-c8cccc9ccccc89)cc7c6c5)c4)cc3)cc2)cc2ccccc12
InChIInChI=1S/C67H47NO/c1-3-4-21-59-45(2)65(44-55-17-9-11-23-61(55)59)68(57-35-29-48(30-36-57)46-14-6-5-7-15-46)58-37-31-49(32-38-58)47-25-27-50(28-26-47)52-19-12-20-53(41-52)54-33-39-66-63(42-54)64-43-56(34-40-67(64)69-66)62-24-13-18-51-16-8-10-22-60(51)62/h3-44H,1H2,2H3/b21-4-
InChIKeyHSFFAAKFUWEUKO-IGLQUIOVSA-N
MW882.12 g/mol
LogP19.20
Rot. Bonds10

About 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 156542134) has the molecular formula C67H47NO and a molecular weight of 882.12 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID156542134
Molecular FormulaC67H47NO
Molecular Weight882.12 g/mol
Exact Mass881.37
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESC=C/C=C\c1c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6oc7ccc(-c8cccc9ccccc89)cc7c6c5)c4)cc3)cc2)cc2ccccc12
InChIInChI=1S/C67H47NO/c1-3-4-21-59-45(2)65(44-55-17-9-11-23-61(55)59)68(57-35-29-48(30-36-57)46-14-6-5-7-15-46)58-37-31-49(32-38-58)47-25-27-50(28-26-47)52-19-12-20-53(41-52)54-33-39-66-63(42-54)64-43-56(34-40-67(64)69-66)62-24-13-18-51-16-8-10-22-60(51)62/h3-44H,1H2,2H3/b21-4-
InChIKeyHSFFAAKFUWEUKO-IGLQUIOVSA-N
XLogP19.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.12
LogP ≤ 519.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964327
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
N-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-naphtho[2,3-b][1]benzofuran-2-ylaniline
CID 174277323
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 122600476
3-dibenzofuran-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 170535389
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 156542134) is 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is C=C/C=C\c1c(C)c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6oc7ccc(-c8cccc9ccccc89)cc7c6c5)c4)cc3)cc2)cc2ccccc12.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is HSFFAAKFUWEUKO-IGLQUIOVSA-N. The full InChI is InChI=1S/C67H47NO/c1-3-4-21-59-45(2)65(44-55-17-9-11-23-61(55)59)68(57-35-29-48(30-36-57)46-14-6-5-7-15-46)58-37-31-49(32-38-58)47-25-27-50(28-26-47)52-19-12-20-53(41-52)54-33-39-66-63(42-54)64-43-56(34-40-67(64)69-66)62-24-13-18-51-16-8-10-22-60(51)62/h3-44H,1H2,2H3/b21-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 882.12 g/mol, XLogP of 19.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-3-methyl-N-[4-[4-[3-(8-naphthalen-1-yldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 156542134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).