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

C78H46N4O2 — CID 164841232

IUPAC3,7,8,9,10,14,15,18,22,23,24,25,29,30-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12
InChIInChI=1S/C78H46N4O2/c1-5-21-47(22-6-1)51-31-17-33-55-57-35-19-39-67(77(57)83-75(51)55)79(49-25-9-3-10-26-49)65-43-41-53-61-45-70-62(46-69(61)81-63-37-15-13-29-59(63)71(65)73(53)81)54-42-44-66(72-60-30-14-16-38-64(60)82(70)74(54)72)80(50-27-11-4-12-28-50)68-40-20-36-58-56-34-18-32-52(76(56)84-78(58)68)48-23-7-2-8-24-48/h1-46H/i13D,14D,15D,16D,29D,30D,37D,38D,41D,42D,43D,44D,45D,46D
InChIKeyZJIUPTDYKUVTHB-YBBSZVKRSA-N
MW1085.34 g/mol
LogP22.06
Rot. Bonds8

About 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

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 (PubChem CID 164841232) has the molecular formula C78H46N4O2 and a molecular weight of 1085.34 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-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.

Molecular Properties

Compound Name3,7,8,9,10,14,15,18,22,23,24,25,29,30-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
PubChem CID164841232
Molecular FormulaC78H46N4O2
Molecular Weight1085.34 g/mol
Exact Mass1084.45
IUPAC Name3,7,8,9,10,14,15,18,22,23,24,25,29,30-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)c2c3c([2H])c([2H])c([2H])c([2H])c3n5c12
InChIInChI=1S/C78H46N4O2/c1-5-21-47(22-6-1)51-31-17-33-55-57-35-19-39-67(77(57)83-75(51)55)79(49-25-9-3-10-26-49)65-43-41-53-61-45-70-62(46-69(61)81-63-37-15-13-29-59(63)71(65)73(53)81)54-42-44-66(72-60-30-14-16-38-64(60)82(70)74(54)72)80(50-27-11-4-12-28-50)68-40-20-36-58-56-34-18-32-52(76(56)84-78(58)68)48-23-7-2-8-24-48/h1-46H/i13D,14D,15D,16D,29D,30D,37D,38D,41D,42D,43D,44D,45D,46D
InChIKeyZJIUPTDYKUVTHB-YBBSZVKRSA-N
XLogP22.06
TPSA41.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.34
LogP ≤ 522.06
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-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 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

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
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
7-N,20-N-bis(3-methylphenyl)-7-N,20-N-bis[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine
CID 156626056
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
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
13-N,28-N-bis(4-cyclohexylphenyl)-3,7,8,9,10,14,15,18,22,23,24,25,29,30-tetradecadeuterio-13-N,28-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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 164841309
N-naphthalen-1-yl-6-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790578

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-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?
The IUPAC name of 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) is 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.
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-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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c(N(c3ccccc3)c3cccc4c3oc3c(-c5ccccc5)cccc34)c([2H])c([2H])c3c4c([2H])c5c(c([2H])c4n2c31)c1c([2H])c([2H])c(N(c2ccccc2)c2cccc3c2oc2c(-c4ccccc4)cccc23)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-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?
The InChIKey is ZJIUPTDYKUVTHB-YBBSZVKRSA-N. The full InChI is InChI=1S/C78H46N4O2/c1-5-21-47(22-6-1)51-31-17-33-55-57-35-19-39-67(77(57)83-75(51)55)79(49-25-9-3-10-26-49)65-43-41-53-61-45-70-62(46-69(61)81-63-37-15-13-29-59(63)71(65)73(53)81)54-42-44-66(72-60-30-14-16-38-64(60)82(70)74(54)72)80(50-27-11-4-12-28-50)68-40-20-36-58-56-34-18-32-52(76(56)84-78(58)68)48-23-7-2-8-24-48/h1-46H/i13D,14D,15D,16D,29D,30D,37D,38D,41D,42D,43D,44D,45D,46D.
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-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?
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 has a molecular weight of 1085.34 g/mol, XLogP of 22.06, 8 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-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 is sourced from PubChem (CID 164841232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).