7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene

C41H24N6 — CID 157071850

IUPAC7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4c5c(ccc4n(-c4ccccc4)c23)c2nc3ncccc3n2c2cccnc52)cc1
InChIInChI=1S/C41H24N6/c1-3-11-25(12-4-1)45-30-16-8-7-15-27(30)36-32(45)21-19-28-35-31(46(39(28)36)26-13-5-2-6-14-26)22-20-29-37(35)38-33(17-9-23-42-38)47-34-18-10-24-43-40(34)44-41(29)47/h1-24H
InChIKeyNPZAAQNGIPHKMC-UHFFFAOYSA-N
MW600.69 g/mol
LogP9.78
Rot. Bonds2

About 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene

7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene (PubChem CID 157071850) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene.

Molecular Properties

Compound Name7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
PubChem CID157071850
Molecular FormulaC41H24N6
Molecular Weight600.69 g/mol
Exact Mass600.21
IUPAC Name7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3c2ccc2c4c5c(ccc4n(-c4ccccc4)c23)c2nc3ncccc3n2c2cccnc52)cc1
InChIInChI=1S/C41H24N6/c1-3-11-25(12-4-1)45-30-16-8-7-15-27(30)36-32(45)21-19-28-35-31(46(39(28)36)26-13-5-2-6-14-26)22-20-29-37(35)38-33(17-9-23-42-38)47-34-18-10-24-43-40(34)44-41(29)47/h1-24H
InChIKeyNPZAAQNGIPHKMC-UHFFFAOYSA-N
XLogP9.78
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.69
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene with MolForge

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Related Compounds

19-phenyl-3,5,10,15,19-pentazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4(9),5,7,11(16),12,14,18(26),20,22,24,27-tridecaene
CID 160711292
7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 160547311
3,7-diphenyl-3,7,22,24,29,34-hexazanonacyclo[18.15.0.02,17.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,8,10,12,14,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 160933180
19-phenyl-3,5,10,19-tetrazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4(9),5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 161259395
3,8-diphenyl-3,8,22,26,29,34-hexazanonacyclo[18.15.0.02,17.04,16.07,15.09,14.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 160557227
3,12-diphenyl-3,12,22,24,29,33-hexazanonacyclo[18.15.0.02,17.04,16.05,13.06,11.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5(13),6,8,10,14,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 158502077
21-phenyl-3,5,10,14,21-pentazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,20(28),22,24,26-tridecaene
CID 159914095
7,16-diphenyl-7,16,22,26,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 158053067
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
3,8-diphenyl-3,8,22,27,29,33-hexazanonacyclo[18.15.0.02,17.04,16.07,15.09,14.021,29.023,28.030,35]pentatriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21,23(28),24,26,30(35),31,33-hexadecaene
CID 158224088
26,31-diphenyl-3,6,12,26,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.019,27.020,25]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19(27),20,22,24,28-tetradecaene
CID 163452056
20-[3-(3-carbazol-9-ylphenyl)phenyl]-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 139574904

Frequently Asked Questions

What is the IUPAC name of 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?
The IUPAC name of 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene (CID 157071850) is 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene.
What is the SMILES notation for 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?
The canonical SMILES for 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene is c1ccc(-n2c3ccccc3c3c2ccc2c4c5c(ccc4n(-c4ccccc4)c23)c2nc3ncccc3n2c2cccnc52)cc1.
What is the InChIKey of 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?
The InChIKey is NPZAAQNGIPHKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-3-11-25(12-4-1)45-30-16-8-7-15-27(30)36-32(45)21-19-28-35-31(46(39(28)36)26-13-5-2-6-14-26)22-20-29-37(35)38-33(17-9-23-42-38)47-34-18-10-24-43-40(34)44-41(29)47/h1-24H.
What are the key properties of 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?
7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene has a molecular weight of 600.69 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-diphenyl-7,16,22,24,29,34-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene is sourced from PubChem (CID 157071850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).