N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine

C52H33NO — CID 167121367

IUPACN-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4ccccc4c3)c3cccc4c5ccc6oc7ccccc7c6c5c5ccccc5c34)c2)cc1
InChIInChI=1S/C52H33NO/c1-3-14-34(15-4-1)38-30-39(35-16-5-2-6-17-35)33-41(32-38)53(40-27-26-36-18-7-8-19-37(36)31-40)47-24-13-23-43-45-28-29-49-52(46-22-11-12-25-48(46)54-49)51(45)44-21-10-9-20-42(44)50(43)47/h1-33H
InChIKeyMVHIOBOUBQEZEL-UHFFFAOYSA-N
MW687.84 g/mol
LogP15.00
Rot. Bonds5

About N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine

N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine (PubChem CID 167121367) has the molecular formula C52H33NO and a molecular weight of 687.84 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine
PubChem CID167121367
Molecular FormulaC52H33NO
Molecular Weight687.84 g/mol
Exact Mass687.26
IUPAC NameN-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4ccccc4c3)c3cccc4c5ccc6oc7ccccc7c6c5c5ccccc5c34)c2)cc1
InChIInChI=1S/C52H33NO/c1-3-14-34(15-4-1)38-30-39(35-16-5-2-6-17-35)33-41(32-38)53(40-27-26-36-18-7-8-19-37(36)31-40)47-24-13-23-43-45-28-29-49-52(46-22-11-12-25-48(46)54-49)51(45)44-21-10-9-20-42(44)50(43)47/h1-33H
InChIKeyMVHIOBOUBQEZEL-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.84
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine with MolForge

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Related Compounds

N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-naphthalen-1-yl-N-(3-phenylphenyl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121639
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301658
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170031061
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine (CID 167121367) is N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4ccccc4c3)c3cccc4c5ccc6oc7ccccc7c6c5c5ccccc5c34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine?
The InChIKey is MVHIOBOUBQEZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO/c1-3-14-34(15-4-1)38-30-39(35-16-5-2-6-17-35)33-41(32-38)53(40-27-26-36-18-7-8-19-37(36)31-40)47-24-13-23-43-45-28-29-49-52(46-22-11-12-25-48(46)54-49)51(45)44-21-10-9-20-42(44)50(43)47/h1-33H.
What are the key properties of N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine?
N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine has a molecular weight of 687.84 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-naphthalen-2-yl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-amine is sourced from PubChem (CID 167121367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).