2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

C57H41NO — CID 174305570

IUPAC2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1C=C(c2ccccc2N(c2ccccc2-c2ccc3c(c2)-c2cccc4cccc(c24)O3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)C=CC1
InChIInChI=1S/C57H41NO/c1-38-16-11-23-42(36-38)44-24-5-8-30-51(44)58(53-32-10-7-26-47(53)48-28-13-20-40-19-12-27-46(56(40)48)39-17-3-2-4-18-39)52-31-9-6-25-45(52)43-34-35-54-50(37-43)49-29-14-21-41-22-15-33-55(59-54)57(41)49/h2-15,17-38H,16H2,1H3
InChIKeyCQZYNSUJQJZJSS-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.22
Rot. Bonds7

About 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline

2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 174305570) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID174305570
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC Name2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC1C=C(c2ccccc2N(c2ccccc2-c2ccc3c(c2)-c2cccc4cccc(c24)O3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)C=CC1
InChIInChI=1S/C57H41NO/c1-38-16-11-23-42(36-38)44-24-5-8-30-51(44)58(53-32-10-7-26-47(53)48-28-13-20-40-19-12-27-46(56(40)48)39-17-3-2-4-18-39)52-31-9-6-25-45(52)43-34-35-54-50(37-43)49-29-14-21-41-22-15-33-55(59-54)57(41)49/h2-15,17-38H,16H2,1H3
InChIKeyCQZYNSUJQJZJSS-UHFFFAOYSA-N
XLogP16.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-2-phenylaniline
CID 174305515
2-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N,N-bis(3-phenylphenyl)aniline
CID 144663158
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
2-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164937010
2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164937287
N-(2-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294756
2-[3-[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)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164937190
4-[5-(4-phenylphenyl)thiophen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177298217
4-(3-dibenzothiophen-1-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177299128
4-[4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 164937180
2-[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)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164937297
2-(9-cyclohexa-1,5-dien-1-ylcarbazol-2-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297166

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 174305570) is 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC1C=C(c2ccccc2N(c2ccccc2-c2ccc3c(c2)-c2cccc4cccc(c24)O3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)C=CC1.
What is the InChIKey of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is CQZYNSUJQJZJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-38-16-11-23-42(36-38)44-24-5-8-30-51(44)58(53-32-10-7-26-47(53)48-28-13-20-40-19-12-27-46(56(40)48)39-17-3-2-4-18-39)52-31-9-6-25-45(52)43-34-35-54-50(37-43)49-29-14-21-41-22-15-33-55(59-54)57(41)49/h2-15,17-38H,16H2,1H3.
What are the key properties of 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 755.96 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 174305570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).