7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine

C46H28N2O — CID 118187034

IUPAC7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
SMILESC1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C6=CC=C9)C1=CC=CC2=CC=CC=C21
InChIInChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(41-19-8-11-29-10-4-5-14-34(29)41)33-22-24-37-36-23-20-31(27-44(36)49-45(37)28-33)30-21-25-43-40(26-30)39-17-9-16-38-35-15-6-7-18-42(35)48(43)46(38)39/h1-28H
InChIKeyQQFNWTTZIRFGFJ-UHFFFAOYSA-N
MW624.70 g/mol
LogP13.60
Rot. Bonds4

About 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine

7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine (PubChem CID 118187034) has the molecular formula C46H28N2O and a molecular weight of 624.70 g/mol. Its IUPAC name is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
PubChem CID118187034
Molecular FormulaC46H28N2O
Molecular Weight624.70 g/mol
Exact Mass624.22
IUPAC Name7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
SMILESC1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C6=CC=C9)C1=CC=CC2=CC=CC=C21
InChIInChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(41-19-8-11-29-10-4-5-14-34(29)41)33-22-24-37-36-23-20-31(27-44(36)49-45(37)28-33)30-21-25-43-40(26-30)39-17-9-16-38-35-15-6-7-18-42(35)48(43)46(38)39/h1-28H
InChIKeyQQFNWTTZIRFGFJ-UHFFFAOYSA-N
XLogP13.60
TPSA20.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity1170

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.70
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
The IUPAC name of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine (CID 118187034) is 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
The canonical SMILES for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine is C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(O3)C=C(C=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C6=CC=C9)C1=CC=CC2=CC=CC=C21.
What is the InChIKey of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
The InChIKey is QQFNWTTZIRFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-2-12-32(13-3-1)47(41-19-8-11-29-10-4-5-14-34(29)41)33-22-24-37-36-23-20-31(27-44(36)49-45(37)28-33)30-21-25-43-40(26-30)39-17-9-16-38-35-15-6-7-18-42(35)48(43)46(38)39/h1-28H.
What are the key properties of 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine?
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine has a molecular weight of 624.70 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 118187034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).