10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine

C58H38N2O3 — CID 90263438

IUPAC10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine
SMILESCc1cccc(N(c2cccc3c2oc2ccccc23)c2cc3ccccc3c3c2oc2c(N(c4cccc(C)c4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)c1
InChIInChI=1S/C58H38N2O3/c1-35-15-11-19-39(31-35)59(47-27-13-25-45-43-23-7-9-29-51(43)61-55(45)47)49-33-37-17-3-5-21-41(37)53-54-42-22-6-4-18-38(42)34-50(58(54)63-57(49)53)60(40-20-12-16-36(2)32-40)48-28-14-26-46-44-24-8-10-30-52(44)62-56(46)48/h3-34H,1-2H3
InChIKeyYDJFCPUPSCOXSZ-UHFFFAOYSA-N
MW810.95 g/mol
LogP17.25
Rot. Bonds6

About 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine

10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine (PubChem CID 90263438) has the molecular formula C58H38N2O3 and a molecular weight of 810.95 g/mol. Its IUPAC name is 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine.

Molecular Properties

Compound Name10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine
PubChem CID90263438
Molecular FormulaC58H38N2O3
Molecular Weight810.95 g/mol
Exact Mass810.29
IUPAC Name10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine
SMILESCc1cccc(N(c2cccc3c2oc2ccccc23)c2cc3ccccc3c3c2oc2c(N(c4cccc(C)c4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)c1
InChIInChI=1S/C58H38N2O3/c1-35-15-11-19-39(31-35)59(47-27-13-25-45-43-23-7-9-29-51(43)61-55(45)47)49-33-37-17-3-5-21-41(37)53-54-42-22-6-4-18-38(42)34-50(58(54)63-57(49)53)60(40-20-12-16-36(2)32-40)48-28-14-26-46-44-24-8-10-30-52(44)62-56(46)48/h3-34H,1-2H3
InChIKeyYDJFCPUPSCOXSZ-UHFFFAOYSA-N
XLogP17.25
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.95
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine with MolForge

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Related Compounds

13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N-bis(3-methylphenyl)-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
CID 146375962
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
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
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-di(phenanthren-3-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159384397
2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
CID 123258916
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
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 163492549
10-N,14-N-bis(2-methylphenyl)-10-N,14-N-diphenyl-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-10,14-diamine;10-N,14-N-bis(3-methylphenyl)-10-N,14-N-diphenyl-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-10,14-diamine;10-N,14-N-bis(4-methylphenyl)-10-N,14-N-diphenyl-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-10,14-diamine;10-N,14-N-diphenyl-10-N,14-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-10,14-diamine;10-N,14-N-diphenyl-10-N,14-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-10,14-diamine
CID 167638934
10-N,14-N-di(dibenzofuran-2-yl)-5-[4-[[19-[4-[dibenzofuran-4-yl-[14-(N-dibenzofuran-4-ylanilino)-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-10-yl]amino]phenyl]-14-(N-(9,9-dimethylfluoren-2-yl)anilino)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl]-(9,9-dimethylfluoren-2-yl)amino]phenyl]-10-N,14-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,14-diamine
CID 155082738
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[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 137493854
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116

Frequently Asked Questions

What is the IUPAC name of 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine?
The IUPAC name of 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine (CID 90263438) is 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine.
What is the SMILES notation for 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine?
The canonical SMILES for 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine is Cc1cccc(N(c2cccc3c2oc2ccccc23)c2cc3ccccc3c3c2oc2c(N(c4cccc(C)c4)c4cccc5c4oc4ccccc45)cc4ccccc4c23)c1.
What is the InChIKey of 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine?
The InChIKey is YDJFCPUPSCOXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O3/c1-35-15-11-19-39(31-35)59(47-27-13-25-45-43-23-7-9-29-51(43)61-55(45)47)49-33-37-17-3-5-21-41(37)53-54-42-22-6-4-18-38(42)34-50(58(54)63-57(49)53)60(40-20-12-16-36(2)32-40)48-28-14-26-46-44-24-8-10-30-52(44)62-56(46)48/h3-34H,1-2H3.
What are the key properties of 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine?
10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine has a molecular weight of 810.95 g/mol, XLogP of 17.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,14-N-di(dibenzofuran-4-yl)-10-N,14-N-bis(3-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-10,14-diamine is sourced from PubChem (CID 90263438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).