5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

C65H46N2O2 — CID 121430675

IUPAC5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESCc1ccccc1N(c1ccc2c3c(c4ccccc4c2c1)-c1c(cc(N(c2ccccc2C)c2cccc4c2oc2ccccc24)c2ccccc12)C3(C)C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C65H46N2O2/c1-39-19-5-13-29-53(39)66(55-31-17-27-49-44-23-11-15-33-58(44)68-63(49)55)41-35-36-48-51(37-41)42-21-7-9-25-46(42)61-60-47-26-10-8-22-43(47)57(38-52(60)65(3,4)62(48)61)67(54-30-14-6-20-40(54)2)56-32-18-28-50-45-24-12-16-34-59(45)69-64(50)56/h5-38H,1-4H3
InChIKeyCAJCEWXENYAOPK-UHFFFAOYSA-N
MW887.10 g/mol
LogP18.81
Rot. Bonds6

About 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine

5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (PubChem CID 121430675) has the molecular formula C65H46N2O2 and a molecular weight of 887.10 g/mol. Its IUPAC name is 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.

Molecular Properties

Compound Name5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
PubChem CID121430675
Molecular FormulaC65H46N2O2
Molecular Weight887.10 g/mol
Exact Mass886.36
IUPAC Name5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
SMILESCc1ccccc1N(c1ccc2c3c(c4ccccc4c2c1)-c1c(cc(N(c2ccccc2C)c2cccc4c2oc2ccccc24)c2ccccc12)C3(C)C)c1cccc2c1oc1ccccc12
InChIInChI=1S/C65H46N2O2/c1-39-19-5-13-29-53(39)66(55-31-17-27-49-44-23-11-15-33-58(44)68-63(49)55)41-35-36-48-51(37-41)42-21-7-9-25-46(42)61-60-47-26-10-8-22-43(47)57(38-52(60)65(3,4)62(48)61)67(54-30-14-6-20-40(54)2)56-32-18-28-50-45-24-12-16-34-59(45)69-64(50)56/h5-38H,1-4H3
InChIKeyCAJCEWXENYAOPK-UHFFFAOYSA-N
XLogP18.81
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine with MolForge

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Related Compounds

N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-phenyldibenzofuran-4-amine
CID 121431505
N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)dibenzofuran-4-amine
CID 121431509
N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)dibenzofuran-4-amine
CID 121431567
25,25-ditert-butyl-5-N,22-N-di(dibenzofuran-4-yl)-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430777
5-N,22-N-bis(2,5-dimethylphenyl)-25,25-dimethyl-5-N,22-N-bis(4-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430645
5-N,20-N-di(dibenzofuran-4-yl)-5-N,20-N-bis(2-methylphenyl)-25,25-bis(trimethylsilyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 140725444
5-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430685
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-methylphenyl)dibenzofuran-4-amine
CID 90140402
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
CID 90277902
N-(2-methylphenyl)-N-(14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(14,14,28,28-tetramethyl-23-heptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaenyl)dibenzofuran-4-amine;N-(3-phenylphenyl)-N-(14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaenyl)dibenzofuran-4-amine;N-phenyl-N-(5,5,15,15-tetramethyl-20-heptacyclo[14.12.0.02,14.04,12.06,11.017,22.023,28]octacosa-1(16),2(14),3,6,8,10,12,17(22),18,20,23,25,27-tridecaenyl)dibenzofuran-4-amine;N-phenyl-N-(14,14,28,28-tetramethyl-11-heptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaenyl)dibenzofuran-4-amine;N-phenyl-N-(14,14,28,28-tetramethyl-23-heptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaenyl)dibenzofuran-4-amine;N-(14,14,28,28-tetramethyl-23-heptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine
CID 159702927
25,25-dimethyl-5-N,17-N-bis(2-methylphenyl)-5-N,17-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,17-diamine
CID 121431363
9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
CID 140758762

Frequently Asked Questions

What is the IUPAC name of 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The IUPAC name of 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine (CID 121430675) is 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine.
What is the SMILES notation for 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The canonical SMILES for 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is Cc1ccccc1N(c1ccc2c3c(c4ccccc4c2c1)-c1c(cc(N(c2ccccc2C)c2cccc4c2oc2ccccc24)c2ccccc12)C3(C)C)c1cccc2c1oc1ccccc12.
What is the InChIKey of 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
The InChIKey is CAJCEWXENYAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2O2/c1-39-19-5-13-29-53(39)66(55-31-17-27-49-44-23-11-15-33-58(44)68-63(49)55)41-35-36-48-51(37-41)42-21-7-9-25-46(42)61-60-47-26-10-8-22-43(47)57(38-52(60)65(3,4)62(48)61)67(54-30-14-6-20-40(54)2)56-32-18-28-50-45-24-12-16-34-59(45)69-64(50)56/h5-38H,1-4H3.
What are the key properties of 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine?
5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine has a molecular weight of 887.10 g/mol, XLogP of 18.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,22-N-di(dibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-bis(2-methylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine is sourced from PubChem (CID 121430675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).