N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline

C62H41NO — CID 174303968

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cc6c7c(cccc7c5)Oc5ccccc5-6)c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H41NO/c1-3-14-45(15-4-1)56-36-31-50(40-58(56)46-16-5-2-6-17-46)44-29-34-54(35-30-44)63(53-32-27-43(28-33-53)49-26-25-42-13-7-8-18-47(42)37-49)55-21-11-19-48(39-55)52-38-51-20-12-24-61-62(51)59(41-52)57-22-9-10-23-60(57)64-61/h1-41H
InChIKeyNZMDZCIFKNYUEV-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.57
Rot. Bonds8

About N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline (PubChem CID 174303968) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
PubChem CID174303968
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cc6c7c(cccc7c5)Oc5ccccc5-6)c4)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C62H41NO/c1-3-14-45(15-4-1)56-36-31-50(40-58(56)46-16-5-2-6-17-46)44-29-34-54(35-30-44)63(53-32-27-43(28-33-53)49-26-25-42-13-7-8-18-47(42)37-49)55-21-11-19-48(39-55)52-38-51-20-12-24-61-62(51)59(41-52)57-22-9-10-23-60(57)64-61/h1-41H
InChIKeyNZMDZCIFKNYUEV-UHFFFAOYSA-N
XLogP17.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)-N-phenylaniline
CID 174304052
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 174303883
9-methyl-N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 174307165
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline
CID 174306136
3-(15-methyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174303682
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-[3-[11-[5-[2-(N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)phenyl]-4-phenylanilino)phenyl]-4-phenylnaphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 174304156
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-phenylaniline
CID 174305309
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline (CID 174303968) is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5cc6c7c(cccc7c5)Oc5ccccc5-6)c4)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?
The InChIKey is NZMDZCIFKNYUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-14-45(15-4-1)56-36-31-50(40-58(56)46-16-5-2-6-17-46)44-29-34-54(35-30-44)63(53-32-27-43(28-33-53)49-26-25-42-13-7-8-18-47(42)37-49)55-21-11-19-48(39-55)52-38-51-20-12-24-61-62(51)59(41-52)57-22-9-10-23-60(57)64-61/h1-41H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline?
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline has a molecular weight of 816.02 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)aniline is sourced from PubChem (CID 174303968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).