N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine

C48H33NO — CID 174256825

IUPACN-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
SMILESC1=CC(c2ccc3ccc(-c4cccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)c4)cc3c2)Cc2ccccc21
InChIInChI=1S/C48H33NO/c1-2-11-35-27-37(22-19-32(35)9-1)39-24-21-33-20-23-38(28-40(33)29-39)36-13-7-14-41(30-36)49(46-17-8-12-34-10-3-4-15-43(34)46)42-25-26-48-45(31-42)44-16-5-6-18-47(44)50-48/h1-26,28-31,37H,27H2
InChIKeyKPBFGGFJYHEUNX-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.38
Rot. Bonds5

About N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine

N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine (PubChem CID 174256825) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
PubChem CID174256825
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC NameN-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
SMILESC1=CC(c2ccc3ccc(-c4cccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)c4)cc3c2)Cc2ccccc21
InChIInChI=1S/C48H33NO/c1-2-11-35-27-37(22-19-32(35)9-1)39-24-21-33-20-23-38(28-40(33)29-39)36-13-7-14-41(30-36)49(46-17-8-12-34-10-3-4-15-43(34)46)42-25-26-48-45(31-42)44-16-5-6-18-47(44)50-48/h1-26,28-31,37H,27H2
InChIKeyKPBFGGFJYHEUNX-UHFFFAOYSA-N
XLogP13.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-2-amine
CID 174256439
N-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 170272586
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-dibenzofuran-1-yl-N-(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 121325423
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-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-19-amine
CID 170779528
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 167324150
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
The IUPAC name of N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine (CID 174256825) is N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine.
What is the SMILES notation for N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
The canonical SMILES for N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine is C1=CC(c2ccc3ccc(-c4cccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6ccccc56)c4)cc3c2)Cc2ccccc21.
What is the InChIKey of N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
The InChIKey is KPBFGGFJYHEUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-2-11-35-27-37(22-19-32(35)9-1)39-24-21-33-20-23-38(28-40(33)29-39)36-13-7-14-41(30-36)49(46-17-8-12-34-10-3-4-15-43(34)46)42-25-26-48-45(31-42)44-16-5-6-18-47(44)50-48/h1-26,28-31,37H,27H2.
What are the key properties of N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine?
N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine has a molecular weight of 639.80 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine is sourced from PubChem (CID 174256825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).