6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

C58H38N2O2 — CID 166033290

IUPAC6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4C)ccc2cc1-3)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C58H38N2O2/c1-35-11-3-7-15-53(35)59(43-23-25-47-45-13-5-9-17-55(45)61-57(47)33-43)41-21-19-37-29-49-50-30-38-20-22-42(28-40(38)32-52(50)51(49)31-39(37)27-41)60(54-16-8-4-12-36(54)2)44-24-26-48-46-14-6-10-18-56(46)62-58(48)34-44/h3-34H,1-2H3
InChIKeyVAVBYGJOAPCGHU-UHFFFAOYSA-N
MW794.95 g/mol
LogP17.00
Rot. Bonds6

About 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine

6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (PubChem CID 166033290) has the molecular formula C58H38N2O2 and a molecular weight of 794.95 g/mol. Its IUPAC name is 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.

Molecular Properties

Compound Name6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
PubChem CID166033290
Molecular FormulaC58H38N2O2
Molecular Weight794.95 g/mol
Exact Mass794.29
IUPAC Name6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
SMILESCc1ccccc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4C)ccc2cc1-3)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C58H38N2O2/c1-35-11-3-7-15-53(35)59(43-23-25-47-45-13-5-9-17-55(45)61-57(47)33-43)41-21-19-37-29-49-50-30-38-20-22-42(28-40(38)32-52(50)51(49)31-39(37)27-41)60(54-16-8-4-12-36(54)2)44-24-26-48-46-14-6-10-18-56(46)62-58(48)34-44/h3-34H,1-2H3
InChIKeyVAVBYGJOAPCGHU-UHFFFAOYSA-N
XLogP17.00
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.95
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-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

N-[2-[2-[dibenzofuran-3-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-3-amine
CID 167087100
N-(2-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032551
N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166031701
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
9-N,23-N-bis(1,3-dimethyldibenzofuran-2-yl)-9-N,23-N-bis(2-methylphenyl)-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 155363170
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
9-N,23-N-di(dibenzofuran-4-yl)-14,14,28,28-tetramethyl-9-N,23-N-diphenylheptacyclo[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;14,14,28,28-tetramethyl-9-N,23-N-bis(2-methylphenyl)-9-N,23-N-diphenylheptacyclo[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;14,14,28,28-tetramethyl-9-N,9-N,23-N,23-N-tetrakis(2-methylphenyl)heptacyclo[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 158488076
6-N,16-N-bis(2-methylphenyl)-6-N,16-N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031866
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-dinaphthalen-1-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 155359646
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(3-methylphenyl)-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 155362774
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560

Frequently Asked Questions

What is the IUPAC name of 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The IUPAC name of 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine (CID 166033290) is 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine.
What is the SMILES notation for 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The canonical SMILES for 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is Cc1ccccc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4C)ccc2cc1-3)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
The InChIKey is VAVBYGJOAPCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O2/c1-35-11-3-7-15-53(35)59(43-23-25-47-45-13-5-9-17-55(45)61-57(47)33-43)41-21-19-37-29-49-50-30-38-20-22-42(28-40(38)32-52(50)51(49)31-39(37)27-41)60(54-16-8-4-12-36(54)2)44-24-26-48-46-14-6-10-18-56(46)62-58(48)34-44/h3-34H,1-2H3.
What are the key properties of 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine?
6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine has a molecular weight of 794.95 g/mol, XLogP of 17.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,17-N-di(dibenzofuran-3-yl)-6-N,17-N-bis(2-methylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine is sourced from PubChem (CID 166033290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).