9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C66H54N2O3 — CID 90263285

IUPAC9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccccc1N(c1cc2oc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccccc4c3c2c2ccccc12)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C66H54N2O3/c1-39-21-9-15-33-51(39)67(53-35-19-29-47-45-27-17-31-49(65(3,4)5)61(45)70-63(47)53)55-37-57-59(43-25-13-11-23-41(43)55)60-44-26-14-12-24-42(44)56(38-58(60)69-57)68(52-34-16-10-22-40(52)2)54-36-20-30-48-46-28-18-32-50(66(6,7)8)62(46)71-64(48)54/h9-38H,1-8H3
InChIKeyFGMVMUKPUUXHGS-UHFFFAOYSA-N
MW923.17 g/mol
LogP19.84
Rot. Bonds6

About 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 90263285) has the molecular formula C66H54N2O3 and a molecular weight of 923.17 g/mol. Its IUPAC name is 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

Compound Name9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
PubChem CID90263285
Molecular FormulaC66H54N2O3
Molecular Weight923.17 g/mol
Exact Mass922.41
IUPAC Name9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
SMILESCc1ccccc1N(c1cc2oc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccccc4c3c2c2ccccc12)c1cccc2c1oc1c(C(C)(C)C)cccc12
InChIInChI=1S/C66H54N2O3/c1-39-21-9-15-33-51(39)67(53-35-19-29-47-45-27-17-31-49(65(3,4)5)61(45)70-63(47)53)55-37-57-59(43-25-13-11-23-41(43)55)60-44-26-14-12-24-42(44)56(38-58(60)69-57)68(52-34-16-10-22-40(52)2)54-36-20-30-48-46-28-18-32-50(66(6,7)8)62(46)71-64(48)54/h9-38H,1-8H3
InChIKeyFGMVMUKPUUXHGS-UHFFFAOYSA-N
XLogP19.84
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.17
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-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

9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 90263039
N-(6-tert-butyldibenzofuran-4-yl)-N-(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263082
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263290
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;9-N,20-N-bis(6-phenyldibenzofuran-4-yl)-9-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 162223623
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(2-methylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-phenyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 159471492
6-tert-butyl-N-(2-methylphenyl)-N-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-4-amine
CID 90263756
9-N,20-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine;4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,4-N,20-N,20-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,4-N,20-N,20-N-tetraphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;9-N,9-N,20-N,20-N-tetraphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 165041886
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine;5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-5,10-diamine
CID 161217386
CID 163469491
CID 163469491
N-(6-tert-butyldibenzofuran-4-yl)-N-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 90263087
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 90262797
9-N,15-N-bis(6-methyldibenzofuran-4-yl)-9-N,15-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263298

Frequently Asked Questions

What is the IUPAC name of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The IUPAC name of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 90263285) is 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.
What is the SMILES notation for 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The canonical SMILES for 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is Cc1ccccc1N(c1cc2oc3cc(N(c4ccccc4C)c4cccc5c4oc4c(C(C)(C)C)cccc45)c4ccccc4c3c2c2ccccc12)c1cccc2c1oc1c(C(C)(C)C)cccc12.
What is the InChIKey of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
The InChIKey is FGMVMUKPUUXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2O3/c1-39-21-9-15-33-51(39)67(53-35-19-29-47-45-27-17-31-49(65(3,4)5)61(45)70-63(47)53)55-37-57-59(43-25-13-11-23-41(43)55)60-44-26-14-12-24-42(44)56(38-58(60)69-57)68(52-34-16-10-22-40(52)2)54-36-20-30-48-46-28-18-32-50(66(6,7)8)62(46)71-64(48)54/h9-38H,1-8H3.
What are the key properties of 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?
9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 923.17 g/mol, XLogP of 19.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,15-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,15-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 90263285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).