9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine

C56H38N4 — CID 170246889

IUPAC9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Cn2c4cc5c6cccc7c6n(c5cc4c4cccc-3c42)Cc2cc(N(c3ccccc3)c3ccccc3)ccc2-7)cc1
InChIInChI=1S/C56H38N4/c1-5-15-39(16-6-1)59(40-17-7-2-8-18-40)43-27-29-45-37(31-43)35-57-53-33-52-50-26-14-24-48-46-30-28-44(60(41-19-9-3-10-20-41)42-21-11-4-12-22-42)32-38(46)36-58(56(48)50)54(52)34-51(53)49-25-13-23-47(45)55(49)57/h1-34H,35-36H2
InChIKeyMAFVPZVUNJMDHZ-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.90
Rot. Bonds6

About 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine

9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine (PubChem CID 170246889) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine.

Molecular Properties

Compound Name9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine
PubChem CID170246889
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Cn2c4cc5c6cccc7c6n(c5cc4c4cccc-3c42)Cc2cc(N(c3ccccc3)c3ccccc3)ccc2-7)cc1
InChIInChI=1S/C56H38N4/c1-5-15-39(16-6-1)59(40-17-7-2-8-18-40)43-27-29-45-37(31-43)35-57-53-33-52-50-26-14-24-48-46-30-28-44(60(41-19-9-3-10-20-41)42-21-11-4-12-22-42)32-38(46)36-58(56(48)50)54(52)34-51(53)49-25-13-23-47(45)55(49)57/h1-34H,35-36H2
InChIKeyMAFVPZVUNJMDHZ-UHFFFAOYSA-N
XLogP14.90
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine with MolForge

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Related Compounds

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CID 123485955
17-N,17-N,35-N,35-N-tetraphenyl-7,25-diazadecacyclo[23.11.1.17,15.02,24.04,22.06,20.09,14.027,32.033,37.019,38]octatriaconta-1(37),2(24),3,5,9,11,13,15,17,19(38),20,22,27,29,31,33,35-heptadecaene-17,35-diamine
CID 170246927
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
3-N-(26,26-dimethyl-14-azaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaen-17-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 171416795
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 138745094
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-N,5-N-bis(9H-fluoren-2-yl)-1-methyl-2-N,5-N,3,4-tetraphenylpyrrole-2,5-diamine
CID 139840164
8-N,8-N,22-N,22-N,12,18-hexakis-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6(11),7,9,17(25),19(24),20,22,26-dodecaene-8,22-diamine
CID 121286493
3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275846
3-(3-hydroxy-N-[7-(3-hydroxy-N-(3-hydroxyphenyl)anilino)-9H-fluoren-2-yl]anilino)phenol
CID 22600957

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine?
The IUPAC name of 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine (CID 170246889) is 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine.
What is the SMILES notation for 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine?
The canonical SMILES for 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)Cn2c4cc5c6cccc7c6n(c5cc4c4cccc-3c42)Cc2cc(N(c3ccccc3)c3ccccc3)ccc2-7)cc1.
What is the InChIKey of 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine?
The InChIKey is MAFVPZVUNJMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-5-15-39(16-6-1)59(40-17-7-2-8-18-40)43-27-29-45-37(31-43)35-57-53-33-52-50-26-14-24-48-46-30-28-44(60(41-19-9-3-10-20-41)42-21-11-4-12-22-42)32-38(46)36-58(56(48)50)54(52)34-51(53)49-25-13-23-47(45)55(49)57/h1-34H,35-36H2.
What are the key properties of 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine?
9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine has a molecular weight of 766.95 g/mol, XLogP of 14.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,25-N,25-N-tetraphenyl-5,21-diazanonacyclo[19.11.1.15,13.02,20.04,18.07,12.023,28.029,33.017,34]tetratriaconta-1(33),2,4(18),7(12),8,10,13,15,17(34),19,23(28),24,26,29,31-pentadecaene-9,25-diamine is sourced from PubChem (CID 170246889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).