13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine

C156H102N4O6 — CID 159055073

About 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine

13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine (PubChem CID 159055073) has the molecular formula C156H102N4O6 and a molecular weight of 2128.55 g/mol. Its IUPAC name is 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine.

Molecular Properties

• Compound Name: 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine
• PubChem CID: 159055073
• Molecular Formula: C156H102N4O6
• Molecular Weight: 2128.55 g/mol
• Exact Mass: 2126.78
• IUPAC Name: 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine
• SMILES: OC1c2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3oc4c(-c5ccccc5)cccc4c3c2-c2c(ccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)C1(O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(-c3cccc4c3oc3c4ccc4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc5c(N(c6ccccc6)c6ccc7ccccc7c6)cc6oc7c(-c8ccccc8)cccc7c6c5c43)cc2)cc1
• InChI: InChI=1S/C78H52N2O4.C78H50N2O2/c81-77-72-68(79(58-28-12-4-13-29-58)61-45-42-52-24-16-17-27-57(52)48-61)49-69-70(66-35-19-33-62(75(66)83-69)55-25-10-3-11-26-55)73(72)71-67(78(77,82)80(59-30-14-5-15-31-59)60-43-40-54(41-44-60)51-22-8-2-9-23-51)47-46-65-64-34-18-32-63(74(64)84-76(65)71)56-38-36-53(37-39-56)50-20-6-1-7-21-50;1-6-20-51(21-7-1)54-36-38-57(39-37-54)64-32-18-34-65-66-46-47-67-70(79(59-28-12-4-13-29-59)61-43-40-55(41-44-61)52-22-8-2-9-23-52)49-69-71(80(60-30-14-5-15-31-60)62-45-42-53-24-16-17-27-58(53)48-62)50-72-73(74(69)75(67)78(66)82-76(64)65)68-35-19-33-63(77(68)81-72)56-25-10-3-11-26-56/h1-49,77,81-82H;1-50H
• InChIKey: JXTGMWKEULKRNP-UHFFFAOYSA-N
• XLogP: 43.03
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2128.55
LogP ≤ 5	43.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine?

The IUPAC name of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine (CID 159055073) is 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine.

What is the SMILES notation for 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine?

The canonical SMILES for 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine is OC1c2c(N(c3ccccc3)c3ccc4ccccc4c3)cc3oc4c(-c5ccccc5)cccc4c3c2-c2c(ccc3c2oc2c(-c4ccc(-c5ccccc5)cc4)cccc23)C1(O)N(c1ccccc1)c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(-c3cccc4c3oc3c4ccc4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc5c(N(c6ccccc6)c6ccc7ccccc7c6)cc6oc7c(-c8ccccc8)cccc7c6c5c43)cc2)cc1.

What is the InChIKey of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine?

The InChIKey is JXTGMWKEULKRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2O4.C78H50N2O2/c81-77-72-68(79(58-28-12-4-13-29-58)61-45-42-52-24-16-17-27-57(52)48-61)49-69-70(66-35-19-33-62(75(66)83-69)55-25-10-3-11-26-55)73(72)71-67(78(77,82)80(59-30-14-5-15-31-59)60-43-40-54(41-44-60)51-22-8-2-9-23-51)47-46-65-64-34-18-32-63(74(64)84-76(65)71)56-38-36-53(37-39-56)50-20-6-1-7-21-50;1-6-20-51(21-7-1)54-36-38-57(39-37-54)64-32-18-34-65-66-46-47-67-70(79(59-28-12-4-13-29-59)61-43-40-55(41-44-61)52-22-8-2-9-23-52)49-69-71(80(60-30-14-5-15-31-60)62-45-42-53-24-16-17-27-58(53)48-62)50-72-73(74(69)75(67)78(66)82-76(64)65)68-35-19-33-63(77(68)81-72)56-25-10-3-11-26-56/h1-49,77,81-82H;1-50H.

What are the key properties of 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine?

13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine has a molecular weight of 2128.55 g/mol, XLogP of 43.03, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(N-naphthalen-2-ylanilino)-8-phenyl-25-(4-phenylphenyl)-16-(N-(4-phenylphenyl)anilino)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1(17),2(14),3(11),4(9),5,7,12,18,20(28),21(26),22,24-dodecaene-15,16-diol;13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22,24-tridecaene-13,16-diamine is sourced from PubChem (CID 159055073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).