5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine

C56H38N2O2 — CID 121275470

IUPAC5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine
SMILESC1=CC(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2)Cc2c1c1oc3cc(N(c4ccccc4)c4ccccc4)ccc3c1c1ccccc21
InChIInChI=1S/C56H38N2O2/c1-4-16-37(17-5-1)43-22-12-14-26-51(43)58(42-28-31-46-45-24-13-15-27-52(45)59-53(46)36-42)40-29-32-48-50(34-40)44-23-10-11-25-47(44)55-49-33-30-41(35-54(49)60-56(48)55)57(38-18-6-2-7-19-38)39-20-8-3-9-21-39/h1-33,35-36,40H,34H2
InChIKeyCFZIBJHRLOCMHF-UHFFFAOYSA-N
MW770.93 g/mol
LogP15.55
Rot. Bonds7

About 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine

5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine (PubChem CID 121275470) has the molecular formula C56H38N2O2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine.

Molecular Properties

Compound Name5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine
PubChem CID121275470
Molecular FormulaC56H38N2O2
Molecular Weight770.93 g/mol
Exact Mass770.29
IUPAC Name5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine
SMILESC1=CC(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2)Cc2c1c1oc3cc(N(c4ccccc4)c4ccccc4)ccc3c1c1ccccc21
InChIInChI=1S/C56H38N2O2/c1-4-16-37(17-5-1)43-22-12-14-26-51(43)58(42-28-31-46-45-24-13-15-27-52(45)59-53(46)36-42)40-29-32-48-50(34-40)44-23-10-11-25-47(44)55-49-33-30-41(35-54(49)60-56(48)55)57(38-18-6-2-7-19-38)39-20-8-3-9-21-39/h1-33,35-36,40H,34H2
InChIKeyCFZIBJHRLOCMHF-UHFFFAOYSA-N
XLogP15.55
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine with MolForge

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Related Compounds

18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)-5-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260290
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260528
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-dibenzofuran-3-yl-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-amine
CID 171433648
10-methyl-5-N-(9-methyl-8,9-dihydrodibenzofuran-2-yl)-5-N,18-N-diphenyl-18-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene-5,18-diamine
CID 163688779
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
CID 121287858

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine?
The IUPAC name of 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine (CID 121275470) is 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine.
What is the SMILES notation for 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine?
The canonical SMILES for 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine is C1=CC(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2ccccc2)Cc2c1c1oc3cc(N(c4ccccc4)c4ccccc4)ccc3c1c1ccccc21.
What is the InChIKey of 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine?
The InChIKey is CFZIBJHRLOCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O2/c1-4-16-37(17-5-1)43-22-12-14-26-51(43)58(42-28-31-46-45-24-13-15-27-52(45)59-53(46)36-42)40-29-32-48-50(34-40)44-23-10-11-25-47(44)55-49-33-30-41(35-54(49)60-56(48)55)57(38-18-6-2-7-19-38)39-20-8-3-9-21-39/h1-33,35-36,40H,34H2.
What are the key properties of 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine?
5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine has a molecular weight of 770.93 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-dibenzofuran-3-yl-18-N,18-N-diphenyl-5-N-(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-5,18-diamine is sourced from PubChem (CID 121275470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).