N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine

C28H21NO — CID 170112526

IUPACN-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine
SMILESC1=CC2Oc3cc(Nc4cccc5ccccc45)ccc3C2C=C1c1ccccc1
InChIInChI=1S/C28H21NO/c1-2-7-19(8-3-1)21-13-16-27-25(17-21)24-15-14-22(18-28(24)30-27)29-26-12-6-10-20-9-4-5-11-23(20)26/h1-18,25,27,29H
InChIKeyIZXDAMNRVASIMQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.08
Rot. Bonds3

About N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine

N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine (PubChem CID 170112526) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine
PubChem CID170112526
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC NameN-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine
SMILESC1=CC2Oc3cc(Nc4cccc5ccccc45)ccc3C2C=C1c1ccccc1
InChIInChI=1S/C28H21NO/c1-2-7-19(8-3-1)21-13-16-27-25(17-21)24-15-14-22(18-28(24)30-27)29-26-12-6-10-20-9-4-5-11-23(20)26/h1-18,25,27,29H
InChIKeyIZXDAMNRVASIMQ-UHFFFAOYSA-N
XLogP7.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135233593
5-[4-[10-(4-naphthalen-1-ylphenyl)-2,6-diphenylanthracen-9-yl]phenyl]-2,3-diphenyl-3a,7a-dihydro-1-benzofuran
CID 122591038
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
N-[6-(4-chrysen-3-yl-2-phenylphenyl)-4-phenylcyclohexa-2,4-dien-1-yl]-3-phenylaniline
CID 170140940
1-N-naphthalen-1-yl-4-N,4-N-bis[4-(naphthalen-1-ylamino)phenyl]benzene-1,4-diamine
CID 142741242
N-[4-[2-[4-(naphthalen-1-ylamino)phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 69417086
N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline
CID 129301196
N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
CID 129301080
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine (CID 170112526) is N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine is C1=CC2Oc3cc(Nc4cccc5ccccc45)ccc3C2C=C1c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
The InChIKey is IZXDAMNRVASIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-2-7-19(8-3-1)21-13-16-27-25(17-21)24-15-14-22(18-28(24)30-27)29-26-12-6-10-20-9-4-5-11-23(20)26/h1-18,25,27,29H.
What are the key properties of N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine?
N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine has a molecular weight of 387.48 g/mol, XLogP of 7.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 170112526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).