N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine

C50H39NO — CID 167397517

IUPACN-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine
SMILESC1=CC(c2ccc3ccccc3c2)CC=C1C1C=CC(N(c2cccc3c2oc2cccc(-c4ccccc4)c23)C2C=Cc3ccccc3C2)=CC1
InChIInChI=1S/C50H39NO/c1-2-12-39(13-3-1)45-16-9-19-48-49(45)46-17-8-18-47(50(46)52-48)51(44-31-28-35-11-5-7-15-41(35)33-44)43-29-26-37(27-30-43)36-20-22-38(23-21-36)42-25-24-34-10-4-6-14-40(34)32-42/h1-22,24-26,28-32,37-38,44H,23,27,33H2
InChIKeyFXTAGCSFGTYCCM-UHFFFAOYSA-N
MW669.87 g/mol
LogP12.98
Rot. Bonds6

About N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine

N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine (PubChem CID 167397517) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine
PubChem CID167397517
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC NameN-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine
SMILESC1=CC(c2ccc3ccccc3c2)CC=C1C1C=CC(N(c2cccc3c2oc2cccc(-c4ccccc4)c23)C2C=Cc3ccccc3C2)=CC1
InChIInChI=1S/C50H39NO/c1-2-12-39(13-3-1)45-16-9-19-48-49(45)46-17-8-18-47(50(46)52-48)51(44-31-28-35-11-5-7-15-41(35)33-44)43-29-26-37(27-30-43)36-20-22-38(23-21-36)42-25-24-34-10-4-6-14-40(34)32-42/h1-22,24-26,28-32,37-38,44H,23,27,33H2
InChIKeyFXTAGCSFGTYCCM-UHFFFAOYSA-N
XLogP12.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine with MolForge

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Related Compounds

N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 174256825
2-[3-(1,2-dihydronaphthalen-2-yl)-4-phenylphenyl]-4-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170237130
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-(4-naphtho[1,2-b][1]benzofuran-7-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166939149
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
2-[4-(7-butyl-1,2-dihydronaphthalen-2-yl)phenyl]-4-(6-butylnaphthalen-2-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170021120
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
CID 177080749
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine?
The IUPAC name of N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine (CID 167397517) is N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine is C1=CC(c2ccc3ccccc3c2)CC=C1C1C=CC(N(c2cccc3c2oc2cccc(-c4ccccc4)c23)C2C=Cc3ccccc3C2)=CC1.
What is the InChIKey of N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine?
The InChIKey is FXTAGCSFGTYCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-2-12-39(13-3-1)45-16-9-19-48-49(45)46-17-8-18-47(50(46)52-48)51(44-31-28-35-11-5-7-15-41(35)33-44)43-29-26-37(27-30-43)36-20-22-38(23-21-36)42-25-24-34-10-4-6-14-40(34)32-42/h1-22,24-26,28-32,37-38,44H,23,27,33H2.
What are the key properties of N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine?
N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine has a molecular weight of 669.87 g/mol, XLogP of 12.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydronaphthalen-2-yl)-N-[4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-yl]-9-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167397517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).