N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline

C52H47NO2 — CID 144582995

IUPACN-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC2CC=C(C3=CCC(N(C4=CCC(c5cccc6c7c(oc56)C=CCC7)C=C4)c4ccc(C5=c6oc7ccccc7c6=CCC5)cc4)CC3)C=C2CC1
InChIInChI=1S/C52H47NO2/c1-2-10-38-33-39(20-19-34(38)9-1)35-21-27-40(28-22-35)53(41-29-23-36(24-30-41)43-13-7-15-47-45-11-3-5-17-49(45)54-51(43)47)42-31-25-37(26-32-42)44-14-8-16-48-46-12-4-6-18-50(46)55-52(44)48/h1,3,5-6,8-9,11,14-18,20-21,23-25,29-34,37,40H,2,4,7,10,12-13,19,22,26-28H2
InChIKeyYSGRBAUKWULFAV-UHFFFAOYSA-N
MW717.95 g/mol
LogP12.05
Rot. Bonds6

About N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline

N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 144582995) has the molecular formula C52H47NO2 and a molecular weight of 717.95 g/mol. Its IUPAC name is N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound NameN-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID144582995
Molecular FormulaC52H47NO2
Molecular Weight717.95 g/mol
Exact Mass717.36
IUPAC NameN-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC2CC=C(C3=CCC(N(C4=CCC(c5cccc6c7c(oc56)C=CCC7)C=C4)c4ccc(C5=c6oc7ccccc7c6=CCC5)cc4)CC3)C=C2CC1
InChIInChI=1S/C52H47NO2/c1-2-10-38-33-39(20-19-34(38)9-1)35-21-27-40(28-22-35)53(41-29-23-36(24-30-41)43-13-7-15-47-45-11-3-5-17-49(45)54-51(43)47)42-31-25-37(26-32-42)44-14-8-16-48-46-12-4-6-18-50(46)55-52(44)48/h1,3,5-6,8-9,11,14-18,20-21,23-25,29-34,37,40H,2,4,7,10,12-13,19,22,26-28H2
InChIKeyYSGRBAUKWULFAV-UHFFFAOYSA-N
XLogP12.05
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.95
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline (CID 144582995) is N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline is C1=CC2CC=C(C3=CCC(N(C4=CCC(c5cccc6c7c(oc56)C=CCC7)C=C4)c4ccc(C5=c6oc7ccccc7c6=CCC5)cc4)CC3)C=C2CC1.
What is the InChIKey of N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is YSGRBAUKWULFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47NO2/c1-2-10-38-33-39(20-19-34(38)9-1)35-21-27-40(28-22-35)53(41-29-23-36(24-30-41)43-13-7-15-47-45-11-3-5-17-49(45)54-51(43)47)42-31-25-37(26-32-42)44-14-8-16-48-46-12-4-6-18-50(46)55-52(44)48/h1,3,5-6,8-9,11,14-18,20-21,23-25,29-34,37,40H,2,4,7,10,12-13,19,22,26-28H2.
What are the key properties of N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 717.95 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4a,7,8-tetrahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-4-(2,3-dihydrodibenzofuran-4-yl)-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 144582995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).