N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine

C48H27N3OS — CID 170280148

IUPACN-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)n3c5ccccc5c5ccc6c7ccccc7n4c6c53)c3cccc4sc5ccccc5c34)ccc12
InChIInChI=1S/C48H27N3OS/c1-5-14-37-30(10-1)34-23-24-35-31-11-2-6-15-38(31)51-41-26-28(21-25-39(41)50(37)47(34)48(35)51)49(29-20-22-33-32-12-3-7-17-42(32)52-43(33)27-29)40-16-9-19-45-46(40)36-13-4-8-18-44(36)53-45/h1-27H
InChIKeyCYKVTAULQIBSTE-UHFFFAOYSA-N
MW693.83 g/mol
LogP13.98
Rot. Bonds3

About N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine

N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine (PubChem CID 170280148) has the molecular formula C48H27N3OS and a molecular weight of 693.83 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
PubChem CID170280148
Molecular FormulaC48H27N3OS
Molecular Weight693.83 g/mol
Exact Mass693.19
IUPAC NameN-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(c3)n3c5ccccc5c5ccc6c7ccccc7n4c6c53)c3cccc4sc5ccccc5c34)ccc12
InChIInChI=1S/C48H27N3OS/c1-5-14-37-30(10-1)34-23-24-35-31-11-2-6-15-38(31)51-41-26-28(21-25-39(41)50(37)47(34)48(35)51)49(29-20-22-33-32-12-3-7-17-42(32)52-43(33)27-29)40-16-9-19-45-46(40)36-13-4-8-18-44(36)53-45/h1-27H
InChIKeyCYKVTAULQIBSTE-UHFFFAOYSA-N
XLogP13.98
TPSA25.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.83
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-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

N-dibenzothiophen-1-yl-N-(4-phenylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280857
N-dibenzothiophen-1-yl-N-naphthalen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280690
N-dibenzofuran-2-yl-N-dibenzofuran-4-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280228
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzothiophen-1-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-3-amine
CID 163564489
N-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280291
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042143
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399
N-[3-[3-(8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-yl)phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170281304
N,N-di(dibenzothiophen-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280652
N-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280362
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine (CID 170280148) is N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine is c1ccc2c(c1)oc1cc(N(c3ccc4c(c3)n3c5ccccc5c5ccc6c7ccccc7n4c6c53)c3cccc4sc5ccccc5c34)ccc12.
What is the InChIKey of N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
The InChIKey is CYKVTAULQIBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N3OS/c1-5-14-37-30(10-1)34-23-24-35-31-11-2-6-15-38(31)51-41-26-28(21-25-39(41)50(37)47(34)48(35)51)49(29-20-22-33-32-12-3-7-17-42(32)52-43(33)27-29)40-16-9-19-45-46(40)36-13-4-8-18-44(36)53-45/h1-27H.
What are the key properties of N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine?
N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine has a molecular weight of 693.83 g/mol, XLogP of 13.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-dibenzothiophen-1-yl-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine is sourced from PubChem (CID 170280148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).