N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine

C42H29NO — CID 176588064

IUPACN-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine
SMILESC1=CC2=CC(c3c(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)ccc4ccccc34)=CCC2C=C1
InChIInChI=1S/C42H29NO/c1-3-13-31-26-33(21-20-28(31)10-1)41-35-15-6-5-12-30(35)23-25-38(41)43(34-24-22-29-11-2-4-14-32(29)27-34)37-17-9-19-40-42(37)36-16-7-8-18-39(36)44-40/h1-19,21-28H,20H2
InChIKeyZLGPSATYJNZSSH-UHFFFAOYSA-N
MW563.70 g/mol
LogP11.82
Rot. Bonds4

About N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine

N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine (PubChem CID 176588064) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine
PubChem CID176588064
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine
SMILESC1=CC2=CC(c3c(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)ccc4ccccc34)=CCC2C=C1
InChIInChI=1S/C42H29NO/c1-3-13-31-26-33(21-20-28(31)10-1)41-35-15-6-5-12-30(35)23-25-38(41)43(34-24-22-29-11-2-4-14-32(29)27-34)37-17-9-19-40-42(37)36-16-7-8-18-39(36)44-40/h1-19,21-28H,20H2
InChIKeyZLGPSATYJNZSSH-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-[4-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 176587572
N-dibenzofuran-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 121325451
N-naphthalen-2-yl-N-(2-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 167031792
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
2-N,2-N,6-N,6-N-tetra(dibenzofuran-1-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 89254530
N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenyldibenzofuran-1-amine
CID 164774544
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
2-(4,4a-dihydronaphthalen-2-ylmethyl)-4-naphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008224
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-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine
CID 165092418

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine?
The IUPAC name of N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine (CID 176588064) is N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine?
The canonical SMILES for N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine is C1=CC2=CC(c3c(N(c4ccc5ccccc5c4)c4cccc5oc6ccccc6c45)ccc4ccccc34)=CCC2C=C1.
What is the InChIKey of N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine?
The InChIKey is ZLGPSATYJNZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-13-31-26-33(21-20-28(31)10-1)41-35-15-6-5-12-30(35)23-25-38(41)43(34-24-22-29-11-2-4-14-32(29)27-34)37-17-9-19-40-42(37)36-16-7-8-18-39(36)44-40/h1-19,21-28H,20H2.
What are the key properties of N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine?
N-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-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-[1-(4,4a-dihydronaphthalen-2-yl)naphthalen-2-yl]-N-naphthalen-2-yldibenzofuran-1-amine is sourced from PubChem (CID 176588064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).