5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine

C54H34N4 — CID 176726932

IUPAC5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2c4c5cc(N(c6ccccc6)c6ccccc6)ccc5n5c6ccccc6c(c6c7ccccc7n3c62)c45)cc1
InChIInChI=1S/C54H34N4/c1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-47-43(33-39)51-52-44-34-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)30-32-48(44)58-46-28-16-14-26-42(46)50(54(52)58)49-41-25-13-15-27-45(41)57(47)53(49)51/h1-34H
InChIKeyFWFLADJURCOXBD-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.93
Rot. Bonds6

About 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine

5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine (PubChem CID 176726932) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine.

Molecular Properties

Compound Name5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine
PubChem CID176726932
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2c4c5cc(N(c6ccccc6)c6ccccc6)ccc5n5c6ccccc6c(c6c7ccccc7n3c62)c45)cc1
InChIInChI=1S/C54H34N4/c1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-47-43(33-39)51-52-44-34-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)30-32-48(44)58-46-28-16-14-26-42(46)50(54(52)58)49-41-25-13-15-27-45(41)57(47)53(49)51/h1-34H
InChIKeyFWFLADJURCOXBD-UHFFFAOYSA-N
XLogP14.93
TPSA15.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine with MolForge

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Related Compounds

6-N,6-N,21-N,21-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene-6,21-diamine
CID 154591207
4,20-bis(N-phenylanilino)-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2(7),3,5,9,11,13,17(22),18,20,23(27),24-dodecaen-15-one
CID 134169573
6-N,16-N-bis(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166031794
10-N,10-N,23-N,23-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaene-10,23-diamine
CID 168856514
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
6-N,6-N,10-N,18-N,18-N,22-N,22-N-heptakis(3,5-dimethylphenyl)-10-N-phenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3(8),4,6,9,11,13(26),15(20),16,18,21,23-dodecaene-6,10,18,22-tetramine
CID 168856496
3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 138747385
N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186960
9-N,9-N,24-N,24-N-tetrakis(4-deuteriophenyl)-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-9,24-diamine
CID 164841452
N-phenyl-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-amine
CID 153286359
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 118188127

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine?
The IUPAC name of 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine (CID 176726932) is 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine.
What is the SMILES notation for 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine?
The canonical SMILES for 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c4c5cc(N(c6ccccc6)c6ccccc6)ccc5n5c6ccccc6c(c6c7ccccc7n3c62)c45)cc1.
What is the InChIKey of 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine?
The InChIKey is FWFLADJURCOXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-47-43(33-39)51-52-44-34-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)30-32-48(44)58-46-28-16-14-26-42(46)50(54(52)58)49-41-25-13-15-27-45(41)57(47)53(49)51/h1-34H.
What are the key properties of 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine?
5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine has a molecular weight of 738.89 g/mol, XLogP of 14.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,28-N,28-N-tetraphenyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25(30),26,28-pentadecaene-5,28-diamine is sourced from PubChem (CID 176726932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).