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

C65H44N2O3 — CID 152891100

IUPAC19,19-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
SMILESCC1(C)CCc2c(N(c3ccccc3)c3cc4oc5ccccc5c4c4ccccc34)ccc3cc4c(oc5ccc(N(c6ccccc6)c6cc7oc8ccccc8c7c7ccccc67)cc54)c1c23
InChIInChI=1S/C65H44N2O3/c1-65(2)34-33-47-52(67(41-19-7-4-8-20-41)54-38-59-62(46-24-12-10-22-44(46)54)49-26-14-16-28-56(49)69-59)31-29-39-35-51-50-36-42(30-32-57(50)70-64(51)63(65)60(39)47)66(40-17-5-3-6-18-40)53-37-58-61(45-23-11-9-21-43(45)53)48-25-13-15-27-55(48)68-58/h3-32,35-38H,33-34H2,1-2H3
InChIKeyUDLVRWHRZCQTQN-UHFFFAOYSA-N
MW901.08 g/mol
LogP19.01
Rot. Bonds6

About 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

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 (PubChem CID 152891100) has the molecular formula C65H44N2O3 and a molecular weight of 901.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name19,19-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
PubChem CID152891100
Molecular FormulaC65H44N2O3
Molecular Weight901.08 g/mol
Exact Mass900.34
IUPAC Name19,19-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
SMILESCC1(C)CCc2c(N(c3ccccc3)c3cc4oc5ccccc5c4c4ccccc34)ccc3cc4c(oc5ccc(N(c6ccccc6)c6cc7oc8ccccc8c7c7ccccc67)cc54)c1c23
InChIInChI=1S/C65H44N2O3/c1-65(2)34-33-47-52(67(41-19-7-4-8-20-41)54-38-59-62(46-24-12-10-22-44(46)54)49-26-14-16-28-56(49)69-59)31-29-39-35-51-50-36-42(30-32-57(50)70-64(51)63(65)60(39)47)66(40-17-5-3-6-18-40)53-37-58-61(45-23-11-9-21-43(45)53)48-25-13-15-27-55(48)68-58/h3-32,35-38H,33-34H2,1-2H3
InChIKeyUDLVRWHRZCQTQN-UHFFFAOYSA-N
XLogP19.01
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.08
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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

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
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
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
10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155361809
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
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
6-N,25-N-bis(6-tert-butyldibenzofuran-2-yl)-6-N,25-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155360939
11-N,25-N-di(phenanthren-3-yl)-11-N,25-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
CID 148742406
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
11-N,21-N-di(dibenzofuran-2-yl)-11-N,21-N-bis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360854
12-N-dibenzofuran-2-yl-18-N-dibenzofuran-3-yl-12-N,18-N-diphenyl-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-12,18-diamine
CID 148769507
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCc2c(N(c3ccccc3)c3cc4oc5ccccc5c4c4ccccc34)ccc3cc4c(oc5ccc(N(c6ccccc6)c6cc7oc8ccccc8c7c7ccccc67)cc54)c1c23.
What is the InChIKey of 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?
The InChIKey is UDLVRWHRZCQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N2O3/c1-65(2)34-33-47-52(67(41-19-7-4-8-20-41)54-38-59-62(46-24-12-10-22-44(46)54)49-26-14-16-28-56(49)69-59)31-29-39-35-51-50-36-42(30-32-57(50)70-64(51)63(65)60(39)47)66(40-17-5-3-6-18-40)53-37-58-61(45-23-11-9-21-43(45)53)48-25-13-15-27-55(48)68-58/h3-32,35-38H,33-34H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 901.08 g/mol, XLogP of 19.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 152891100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).