9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

C78H50N4 — CID 163869323

IUPAC9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(ccc4c5cc6c(cc5n(-c5ccc7ccccc7c5)c34)c3ccc4cc(N(c5ccccc5)c5ccc7ccccc7c5)ccc4c3n6-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C78H50N4/c1-3-23-61(24-4-1)79(63-33-27-51-15-7-11-19-55(51)43-63)65-37-41-69-59(47-65)31-39-71-73-49-76-74(50-75(73)81(77(69)71)67-35-29-53-17-9-13-21-57(53)45-67)72-40-32-60-48-66(38-42-70(60)78(72)82(76)68-36-30-54-18-10-14-22-58(54)46-68)80(62-25-5-2-6-26-62)64-34-28-52-16-8-12-20-56(52)44-64/h1-50H
InChIKeyPJKFTPSFNNBRTR-UHFFFAOYSA-N
MW1043.29 g/mol
LogP21.74
Rot. Bonds8

About 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (PubChem CID 163869323) has the molecular formula C78H50N4 and a molecular weight of 1043.29 g/mol. Its IUPAC name is 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
PubChem CID163869323
Molecular FormulaC78H50N4
Molecular Weight1043.29 g/mol
Exact Mass1042.40
IUPAC Name9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3c(ccc4c5cc6c(cc5n(-c5ccc7ccccc7c5)c34)c3ccc4cc(N(c5ccccc5)c5ccc7ccccc7c5)ccc4c3n6-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C78H50N4/c1-3-23-61(24-4-1)79(63-33-27-51-15-7-11-19-55(51)43-63)65-37-41-69-59(47-65)31-39-71-73-49-76-74(50-75(73)81(77(69)71)67-35-29-53-17-9-13-21-57(53)45-67)72-40-32-60-48-66(38-42-70(60)78(72)82(76)68-36-30-54-18-10-14-22-58(54)46-68)80(62-25-5-2-6-26-62)64-34-28-52-16-8-12-20-56(52)44-64/h1-50H
InChIKeyPJKFTPSFNNBRTR-UHFFFAOYSA-N
XLogP21.74
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.29
LogP ≤ 521.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (CID 163869323) is 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3c(ccc4c5cc6c(cc5n(-c5ccc7ccccc7c5)c34)c3ccc4cc(N(c5ccccc5)c5ccc7ccccc7c5)ccc4c3n6-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
The InChIKey is PJKFTPSFNNBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50N4/c1-3-23-61(24-4-1)79(63-33-27-51-15-7-11-19-55(51)43-63)65-37-41-69-59(47-65)31-39-71-73-49-76-74(50-75(73)81(77(69)71)67-35-29-53-17-9-13-21-57(53)45-67)72-40-32-60-48-66(38-42-70(60)78(72)82(76)68-36-30-54-18-10-14-22-58(54)46-68)80(62-25-5-2-6-26-62)64-34-28-52-16-8-12-20-56(52)44-64/h1-50H.
What are the key properties of 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?
9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine has a molecular weight of 1043.29 g/mol, XLogP of 21.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is sourced from PubChem (CID 163869323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).