N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine

C50H35NO — CID 174257333

IUPACN-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESC=C(/C=C\C=C\N(c1ccccc1)c1ccc2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2c1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C50H35NO/c1-35(46-18-11-20-49-50(46)47-17-7-8-19-48(47)52-49)12-9-10-31-51(44-15-3-2-4-16-44)45-30-29-39-26-28-42(33-43(39)34-45)38-23-21-37(22-24-38)41-27-25-36-13-5-6-14-40(36)32-41/h2-34H,1H2/b12-9-,31-10+
InChIKeyMRMKITSTNXNFKM-SFNNUCQGSA-N
MW665.84 g/mol
LogP14.15
Rot. Bonds8

About N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine

N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 174257333) has the molecular formula C50H35NO and a molecular weight of 665.84 g/mol. Its IUPAC name is N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID174257333
Molecular FormulaC50H35NO
Molecular Weight665.84 g/mol
Exact Mass665.27
IUPAC NameN-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESC=C(/C=C\C=C\N(c1ccccc1)c1ccc2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2c1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C50H35NO/c1-35(46-18-11-20-49-50(46)47-17-7-8-19-48(47)52-49)12-9-10-31-51(44-15-3-2-4-16-44)45-30-29-39-26-28-42(33-43(39)34-45)38-23-21-37(22-24-38)41-27-25-36-13-5-6-14-40(36)32-41/h2-34H,1H2/b12-9-,31-10+
InChIKeyMRMKITSTNXNFKM-SFNNUCQGSA-N
XLogP14.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenylaniline
CID 166565631
4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine
CID 174257337
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-naphthalen-2-ylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146583032
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine (CID 174257333) is N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine is C=C(/C=C\C=C\N(c1ccccc1)c1ccc2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2c1)c1cccc2oc3ccccc3c12.
What is the InChIKey of N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is MRMKITSTNXNFKM-SFNNUCQGSA-N. The full InChI is InChI=1S/C50H35NO/c1-35(46-18-11-20-49-50(46)47-17-7-8-19-48(47)52-49)12-9-10-31-51(44-15-3-2-4-16-44)45-30-29-39-26-28-42(33-43(39)34-45)38-23-21-37(22-24-38)41-27-25-36-13-5-6-14-40(36)32-41/h2-34H,1H2/b12-9-,31-10+.
What are the key properties of N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine?
N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 665.84 g/mol, XLogP of 14.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-5-dibenzofuran-1-ylhexa-1,3,5-trienyl]-7-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 174257333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).