N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine

C42H29NO — CID 176587572

IUPACN-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine
SMILESC1=CC2=CC(c3cc(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)cc4ccccc34)=CCC2C=C1
InChIInChI=1S/C42H29NO/c1-3-11-30-23-33(18-17-28(30)9-1)40-26-36(25-32-13-5-6-14-37(32)40)43(34-20-19-29-10-2-4-12-31(29)24-34)35-21-22-39-38-15-7-8-16-41(38)44-42(39)27-35/h1-16,18-28H,17H2
InChIKeyLGZXUPSMMKQRGG-UHFFFAOYSA-N
MW563.70 g/mol
LogP11.82
Rot. Bonds4

About N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine

N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine (PubChem CID 176587572) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine
PubChem CID176587572
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine
SMILESC1=CC2=CC(c3cc(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)cc4ccccc34)=CCC2C=C1
InChIInChI=1S/C42H29NO/c1-3-11-30-23-33(18-17-28(30)9-1)40-26-36(25-32-13-5-6-14-37(32)40)43(34-20-19-29-10-2-4-12-31(29)24-34)35-21-22-39-38-15-7-8-16-41(38)44-42(39)27-35/h1-16,18-28H,17H2
InChIKeyLGZXUPSMMKQRGG-UHFFFAOYSA-N
XLogP11.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine
CID 176588064
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
CID 89061049
N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
N-dibenzofuran-3-yl-N-naphthalen-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-amine
CID 146647960
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167184399
2-(4,4a-dihydronaphthalen-2-ylmethyl)-4-naphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008224
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
2-N,2-N,6-N,6-N-tetra(dibenzofuran-3-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254502
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
CID 139297893

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine?
The IUPAC name of N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine (CID 176587572) is N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine is C1=CC2=CC(c3cc(N(c4ccc5ccccc5c4)c4ccc5c(c4)oc4ccccc45)cc4ccccc34)=CCC2C=C1.
What is the InChIKey of N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine?
The InChIKey is LGZXUPSMMKQRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-11-30-23-33(18-17-28(30)9-1)40-26-36(25-32-13-5-6-14-37(32)40)43(34-20-19-29-10-2-4-12-31(29)24-34)35-21-22-39-38-15-7-8-16-41(38)44-42(39)27-35/h1-16,18-28H,17H2.
What are the key properties of N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine?
N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine has a molecular weight of 563.70 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 176587572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).