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

C54H34N4 — CID 154591207

IUPAC6-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7cc(N(c8ccccc8)c8ccccc8)ccc7c(c7c8ccccc8n(c3c2)c74)c56)cc1
InChIInChI=1S/C54H34N4/c1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-43-47(33-39)57-45-27-15-13-25-41(45)50-52-44-32-30-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)58-46-28-16-14-26-42(46)49(54(52)58)51(43)53(50)57/h1-34H
InChIKeyGYFPCAZXLHKMIE-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.93
Rot. Bonds6

About 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

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 (PubChem CID 154591207) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID154591207
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name6-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
SMILESc1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7cc(N(c8ccccc8)c8ccccc8)ccc7c(c7c8ccccc8n(c3c2)c74)c56)cc1
InChIInChI=1S/C54H34N4/c1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-43-47(33-39)57-45-27-15-13-25-41(45)50-52-44-32-30-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)58-46-28-16-14-26-42(46)49(54(52)58)51(43)53(50)57/h1-34H
InChIKeyGYFPCAZXLHKMIE-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 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 with MolForge

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Related Compounds

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
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
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
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
13-N,28-N-diphenyl-13-N,28-N-bis(3-phenylphenyl)-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 138506964
13-N,28-N-bis(3-deuteriophenyl)-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 164841250
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
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
13-N,28-N-bis(2-methylphenyl)-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 138507053
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
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
6-tert-butyl-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),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726906

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3c4c5c6ccccc6n6c7cc(N(c8ccccc8)c8ccccc8)ccc7c(c7c8ccccc8n(c3c2)c74)c56)cc1.
What is the InChIKey of 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?
The InChIKey is GYFPCAZXLHKMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-5-17-35(18-6-1)55(36-19-7-2-8-20-36)39-29-31-43-47(33-39)57-45-27-15-13-25-41(45)50-52-44-32-30-40(56(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-48(44)58-46-28-16-14-26-42(46)49(54(52)58)51(43)53(50)57/h1-34H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 154591207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).