3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C66H38N4O2 — CID 164841677

IUPAC3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3ccccc3)c3cccc4c3oc3ccccc34)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12
InChIInChI=1S/C66H38N4O2/c1-3-17-39(18-4-1)67(55-29-15-25-45-41-21-9-13-31-59(41)71-65(45)55)53-35-33-43-49-37-58-50(38-57(49)69-51-27-11-7-23-47(51)61(53)63(43)69)44-34-36-54(62-48-24-8-12-28-52(48)70(58)64(44)62)68(40-19-5-2-6-20-40)56-30-16-26-46-42-22-10-14-32-60(42)72-66(46)56/h1-38H/i7D,8D,11D,12D,23D,24D,27D,28D,33D,34D,35D,36D,37D,38D
InChIKeyZCRBCVNXRZPMQZ-ZDYGJNITSA-N
MW933.14 g/mol
LogP18.73
Rot. Bonds6

About 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 164841677) has the molecular formula C66H38N4O2 and a molecular weight of 933.14 g/mol. Its IUPAC name is 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

Compound Name3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
PubChem CID164841677
Molecular FormulaC66H38N4O2
Molecular Weight933.14 g/mol
Exact Mass932.39
IUPAC Name3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3ccccc3)c3cccc4c3oc3ccccc34)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12
InChIInChI=1S/C66H38N4O2/c1-3-17-39(18-4-1)67(55-29-15-25-45-41-21-9-13-31-59(41)71-65(45)55)53-35-33-43-49-37-58-50(38-57(49)69-51-27-11-7-23-47(51)61(53)63(43)69)44-34-36-54(62-48-24-8-12-28-52(48)70(58)64(44)62)68(40-19-5-2-6-20-40)56-30-16-26-46-42-22-10-14-32-60(42)72-66(46)56/h1-38H/i7D,8D,11D,12D,23D,24D,27D,28D,33D,34D,35D,36D,37D,38D
InChIKeyZCRBCVNXRZPMQZ-ZDYGJNITSA-N
XLogP18.73
TPSA41.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.14
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine with MolForge

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Related Compounds

3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-diphenyl-13-N,28-N-bis(6-phenyldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164841232
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744369
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
13-N,21-N-di(dibenzofuran-4-yl)-13-N,21-N,23-triphenyl-4-oxa-1-azaheptacyclo[13.10.1.02,14.03,11.05,10.019,26.020,25]hexacosa-2,5,7,9,11,13,15,17,19(26),20(25),21,23-dodecaene-13,21-diamine
CID 163947940
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 162003891
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,13-N,28-N,28-N-tetrakis(2,5-dimethylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 164841421

Frequently Asked Questions

What is the IUPAC name of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
The IUPAC name of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 164841677) is 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.
What is the SMILES notation for 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
The canonical SMILES for 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3ccccc3)c3cccc4c3oc3ccccc34)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2ccccc2)c2cccc3c2oc2ccccc23)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12.
What is the InChIKey of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
The InChIKey is ZCRBCVNXRZPMQZ-ZDYGJNITSA-N. The full InChI is InChI=1S/C66H38N4O2/c1-3-17-39(18-4-1)67(55-29-15-25-45-41-21-9-13-31-59(41)71-65(45)55)53-35-33-43-49-37-58-50(38-57(49)69-51-27-11-7-23-47(51)61(53)63(43)69)44-34-36-54(62-48-24-8-12-28-52(48)70(58)64(44)62)68(40-19-5-2-6-20-40)56-30-16-26-46-42-22-10-14-32-60(42)72-66(46)56/h1-38H/i7D,8D,11D,12D,23D,24D,27D,28D,33D,34D,35D,36D,37D,38D.
What are the key properties of 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?
3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 933.14 g/mol, XLogP of 18.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-di(dibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 164841677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).