6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine

C57H40N2O3 — CID 154934467

IUPAC6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine
SMILESCC1(C)CCc2c(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)ccc3cc4oc5cc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)ccc5c4c1c23
InChIInChI=1S/C57H40N2O3/c1-57(2)30-29-43-47(59(37-15-7-4-8-16-37)39-24-28-51-46(33-39)42-18-10-12-20-49(42)61-51)26-21-35-31-53-55(56(57)54(35)43)44-25-22-40(34-52(44)62-53)58(36-13-5-3-6-14-36)38-23-27-50-45(32-38)41-17-9-11-19-48(41)60-50/h3-28,31-34H,29-30H2,1-2H3
InChIKeyXIVZKGLWTHPZCE-UHFFFAOYSA-N
MW800.96 g/mol
LogP16.70
Rot. Bonds6

About 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine

6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine (PubChem CID 154934467) has the molecular formula C57H40N2O3 and a molecular weight of 800.96 g/mol. Its IUPAC name is 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine.

Molecular Properties

Compound Name6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine
PubChem CID154934467
Molecular FormulaC57H40N2O3
Molecular Weight800.96 g/mol
Exact Mass800.30
IUPAC Name6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine
SMILESCC1(C)CCc2c(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)ccc3cc4oc5cc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)ccc5c4c1c23
InChIInChI=1S/C57H40N2O3/c1-57(2)30-29-43-47(59(37-15-7-4-8-16-37)39-24-28-51-46(33-39)42-18-10-12-20-49(42)61-51)26-21-35-31-53-55(56(57)54(35)43)44-25-22-40(34-52(44)62-53)58(36-13-5-3-6-14-36)38-23-27-50-45(32-38)41-17-9-11-19-48(41)60-50/h3-28,31-34H,29-30H2,1-2H3
InChIKeyXIVZKGLWTHPZCE-UHFFFAOYSA-N
XLogP16.70
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.96
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine with MolForge

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Related Compounds

19,19-dimethyl-7-N,15-N-bis(naphtho[2,1-b][1]benzofuran-5-yl)-7-N,15-N-diphenyl-3-oxapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15-octaene-7,15-diamine
CID 152891100
13,13-dimethyl-6-N,6-N,17-N,17-N-tetraphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,16,18-octaene-6,17-diamine
CID 154934445
5-N,15-N-bis(9,9-dimethylfluoren-4-yl)-19,19-dimethyl-5-N,15-N-bis(naphtho[1,2-b][1]benzofuran-8-yl)-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-5,15-diamine
CID 154934507
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
3-N-dibenzofuran-2-yl-1-N-dibenzofuran-3-yl-3-N-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)-1-N-phenylbenzene-1,3-diamine
CID 170410406
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N,N-diphenyldibenzofuran-2-amine
CID 58038469
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172

Frequently Asked Questions

What is the IUPAC name of 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine?
The IUPAC name of 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine (CID 154934467) is 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine.
What is the SMILES notation for 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine?
The canonical SMILES for 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine is CC1(C)CCc2c(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)ccc3cc4oc5cc(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)ccc5c4c1c23.
What is the InChIKey of 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine?
The InChIKey is XIVZKGLWTHPZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O3/c1-57(2)30-29-43-47(59(37-15-7-4-8-16-37)39-24-28-51-46(33-39)42-18-10-12-20-49(42)61-51)26-21-35-31-53-55(56(57)54(35)43)44-25-22-40(34-52(44)62-53)58(36-13-5-3-6-14-36)38-23-27-50-45(32-38)41-17-9-11-19-48(41)60-50/h3-28,31-34H,29-30H2,1-2H3.
What are the key properties of 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine?
6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine has a molecular weight of 800.96 g/mol, XLogP of 16.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,15-N-di(dibenzofuran-2-yl)-19,19-dimethyl-6-N,15-N-diphenyl-9-oxapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(20),2(10),3(8),4,6,11,13,15-octaene-6,15-diamine is sourced from PubChem (CID 154934467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).