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

C70H46N2O3 — CID 90263298

IUPAC9-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
SMILESCc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12
InChIInChI=1S/C70H46N2O3/c1-43-17-13-27-55-57-29-15-31-59(69(57)74-67(43)55)71(49-37-33-47(34-38-49)45-19-5-3-6-20-45)61-41-63-65(53-25-11-9-23-51(53)61)66-54-26-12-10-24-52(54)62(42-64(66)73-63)72(50-39-35-48(36-40-50)46-21-7-4-8-22-46)60-32-16-30-58-56-28-14-18-44(2)68(56)75-70(58)60/h3-42H,1-2H3
InChIKeyIELUURHTOBSRGA-UHFFFAOYSA-N
MW963.15 g/mol
LogP20.58
Rot. Bonds8

About 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

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 (PubChem CID 90263298) has the molecular formula C70H46N2O3 and a molecular weight of 963.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID90263298
Molecular FormulaC70H46N2O3
Molecular Weight963.15 g/mol
Exact Mass962.35
IUPAC Name9-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
SMILESCc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12
InChIInChI=1S/C70H46N2O3/c1-43-17-13-27-55-57-29-15-31-59(69(57)74-67(43)55)71(49-37-33-47(34-38-49)45-19-5-3-6-20-45)61-41-63-65(53-25-11-9-23-51(53)61)66-54-26-12-10-24-52(54)62(42-64(66)73-63)72(50-39-35-48(36-40-50)46-21-7-4-8-22-46)60-32-16-30-58-56-28-14-18-44(2)68(56)75-70(58)60/h3-42H,1-2H3
InChIKeyIELUURHTOBSRGA-UHFFFAOYSA-N
XLogP20.58
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.15
LogP ≤ 520.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 160511447
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
9-N,15-N-bis(6-methyldibenzofuran-4-yl)-6-[6-methyl-4-(N-[15-(N-(6-methyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-3-phenylanilino)dibenzofuran-1-yl]-9-N,15-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene-9,15-diamine
CID 155082701
1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;ethane;toluene
CID 144918792
9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(2-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;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(3-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;9-N,15-N-bis(4-methylphenyl)-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;9-N,15-N-diphenyl-9-N,15-N-bis(2-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;9-N,15-N-diphenyl-9-N,15-N-bis(3-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;9-N,15-N-diphenyl-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 159063032
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
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
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
4-N,20-N-bis(6-cyclohexyldibenzofuran-4-yl)-4-N,20-N-diphenyl-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,20-N-bis(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-4-yl)-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,20-N-bis(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-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
CID 158493634
4-N,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(2-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,20-N-di(dibenzofuran-4-yl)-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,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(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,20-N-di(dibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-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,20-N-di(dibenzofuran-4-yl)-4-N,20-N-diphenyl-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
CID 159039636
9-N,9-N,15-N,15-N-tetrakis(4-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 90263216
8-[3-[3-(2-methyl-N-[20-(N-(2-methylphenyl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]anilino)phenyl]phenyl]-4-N,20-N-bis(2-methylphenyl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167275967

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6oc6c(C)cccc67)c6ccccc6c5c4c4ccccc34)cccc12.
What is the InChIKey of 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?
The InChIKey is IELUURHTOBSRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O3/c1-43-17-13-27-55-57-29-15-31-59(69(57)74-67(43)55)71(49-37-33-47(34-38-49)45-19-5-3-6-20-45)61-41-63-65(53-25-11-9-23-51(53)61)66-54-26-12-10-24-52(54)62(42-64(66)73-63)72(50-39-35-48(36-40-50)46-21-7-4-8-22-46)60-32-16-30-58-56-28-14-18-44(2)68(56)75-70(58)60/h3-42H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 963.15 g/mol, XLogP of 20.58, 8 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-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 is sourced from PubChem (CID 90263298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).