N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine

C72H44N4O3 — CID 118651781

About N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine

N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine (PubChem CID 118651781) has the molecular formula C72H44N4O3 and a molecular weight of 1013.17 g/mol. Its IUPAC name is N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine
• PubChem CID: 118651781
• Molecular Formula: C72H44N4O3
• Molecular Weight: 1013.17 g/mol
• Exact Mass: 1012.34
• IUPAC Name: N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3oc4ccc(-n5c6ccccc6c6c7oc8c(ccc9c8c8ccccc8n9-c8ccc9oc%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10c9c8)c7ccc65)cc4c3c2)cc1
• InChI: InChI=1S/C72H44N4O3/c1-5-17-45(18-6-1)73(46-19-7-2-8-20-46)49-29-37-65-57(41-49)59-43-51(31-39-67(59)77-65)75-61-27-15-13-25-55(61)69-63(75)35-33-53-54-34-36-64-70(72(54)79-71(53)69)56-26-14-16-28-62(56)76(64)52-32-40-68-60(44-52)58-42-50(30-38-66(58)78-68)74(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-44H
• InChIKey: CCJIQROAVRXQPP-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 55.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.17
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine?

The IUPAC name of N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine (CID 118651781) is N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine.

What is the SMILES notation for N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine?

The canonical SMILES for N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine is c1ccc(N(c2ccccc2)c2ccc3oc4ccc(-n5c6ccccc6c6c7oc8c(ccc9c8c8ccccc8n9-c8ccc9oc%10ccc(N(c%11ccccc%11)c%11ccccc%11)cc%10c9c8)c7ccc65)cc4c3c2)cc1.

What is the InChIKey of N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine?

The InChIKey is CCJIQROAVRXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N4O3/c1-5-17-45(18-6-1)73(46-19-7-2-8-20-46)49-29-37-65-57(41-49)59-43-51(31-39-67(59)77-65)75-61-27-15-13-25-55(61)69-63(75)35-33-53-54-34-36-64-70(72(54)79-71(53)69)56-26-14-16-28-62(56)76(64)52-32-40-68-60(44-52)58-42-50(30-38-66(58)78-68)74(47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-44H.

What are the key properties of N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine?

N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine has a molecular weight of 1013.17 g/mol, XLogP of 20.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine is sourced from PubChem (CID 118651781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).