N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine

C38H23NO2 — CID 90262894

IUPACN-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
SMILESc1ccc(N(c2cc3oc4cc5ccccc5cc4c3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C38H23NO2/c1-2-13-26(14-3-1)39(32-19-10-18-30-28-16-8-9-20-34(28)41-38(30)32)33-23-36-37(29-17-7-6-15-27(29)33)31-21-24-11-4-5-12-25(24)22-35(31)40-36/h1-23H
InChIKeyZIEGYNDYAILQCP-UHFFFAOYSA-N
MW525.61 g/mol
LogP11.26
Rot. Bonds3

About N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine

N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine (PubChem CID 90262894) has the molecular formula C38H23NO2 and a molecular weight of 525.61 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
PubChem CID90262894
Molecular FormulaC38H23NO2
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC NameN-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
SMILESc1ccc(N(c2cc3oc4cc5ccccc5cc4c3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C38H23NO2/c1-2-13-26(14-3-1)39(32-19-10-18-30-28-16-8-9-20-34(28)41-38(30)32)33-23-36-37(29-17-7-6-15-27(29)33)31-21-24-11-4-5-12-25(24)22-35(31)40-36/h1-23H
InChIKeyZIEGYNDYAILQCP-UHFFFAOYSA-N
XLogP11.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-(3-methylphenyl)-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90262879
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169294685
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263250
9-N-dibenzofuran-4-yl-5-N,5-N,9-N-triphenylnaphtho[1,2-b][1]benzofuran-5,9-diamine
CID 155172997
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N,2,16-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360798
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-di(dibenzofuran-4-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362763
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-phenyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)phenyl]dibenzofuran-4-amine
CID 176808337

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine (CID 90262894) is N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine is c1ccc(N(c2cc3oc4cc5ccccc5cc4c3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine?
The InChIKey is ZIEGYNDYAILQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO2/c1-2-13-26(14-3-1)39(32-19-10-18-30-28-16-8-9-20-34(28)41-38(30)32)33-23-36-37(29-17-7-6-15-27(29)33)31-21-24-11-4-5-12-25(24)22-35(31)40-36/h1-23H.
What are the key properties of N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine?
N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine has a molecular weight of 525.61 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine is sourced from PubChem (CID 90262894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).