N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline

C54H39NO — CID 163524557

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline
SMILESC1=CC2=Cc3oc4cc5ccccc5c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)c4c3CC2CC1
InChIInChI=1S/C54H39NO/c1-2-11-36(12-3-1)37-21-27-44(28-22-37)55(45-29-23-39(24-30-45)48-20-10-17-38-13-6-8-18-47(38)48)46-31-25-40(26-32-46)53-49-19-9-7-16-43(49)35-52-54(53)50-33-41-14-4-5-15-42(41)34-51(50)56-52/h1-3,5-13,15-32,34-35,41H,4,14,33H2
InChIKeyDNQJFJVJXVABGI-UHFFFAOYSA-N
MW717.91 g/mol
LogP15.12
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline

N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline (PubChem CID 163524557) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline
PubChem CID163524557
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline
SMILESC1=CC2=Cc3oc4cc5ccccc5c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)c4c3CC2CC1
InChIInChI=1S/C54H39NO/c1-2-11-36(12-3-1)37-21-27-44(28-22-37)55(45-29-23-39(24-30-45)48-20-10-17-38-13-6-8-18-47(38)48)46-31-25-40(26-32-46)53-49-19-9-7-16-43(49)35-52-54(53)50-33-41-14-4-5-15-42(41)34-51(50)56-52/h1-3,5-13,15-32,34-35,41H,4,14,33H2
InChIKeyDNQJFJVJXVABGI-UHFFFAOYSA-N
XLogP15.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline with MolForge

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Related Compounds

4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
CID 167277575
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline (CID 163524557) is N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline is C1=CC2=Cc3oc4cc5ccccc5c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7cccc8ccccc78)cc6)cc5)c4c3CC2CC1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline?
The InChIKey is DNQJFJVJXVABGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-2-11-36(12-3-1)37-21-27-44(28-22-37)55(45-29-23-39(24-30-45)48-20-10-17-38-13-6-8-18-47(38)48)46-31-25-40(26-32-46)53-49-19-9-7-16-43(49)35-52-54(53)50-33-41-14-4-5-15-42(41)34-51(50)56-52/h1-3,5-13,15-32,34-35,41H,4,14,33H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline?
N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline has a molecular weight of 717.91 g/mol, XLogP of 15.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16-octaen-3-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 163524557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).