10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]

C193H121N13 — CID 165090978

About 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]

10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine] (PubChem CID 165090978) has the molecular formula C193H121N13 and a molecular weight of 2622.18 g/mol. Its IUPAC name is 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine].

Molecular Properties

• Compound Name: 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]
• PubChem CID: 165090978
• Molecular Formula: C193H121N13
• Molecular Weight: 2622.18 g/mol
• Exact Mass: 2619.99
• IUPAC Name: 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4c(ccc6c(-c7ccccc7)nc7ccccc7c46)C54c5ccccc5N(c5ccccc5)c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7cc8c(cc7-6)c(-c6ccccc6)nc6ccccc68)c6ccccc6N(c6ccccc6)c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)-c2ccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cc2C42c3ccccc3N(c3ccccc3)c3ccccc32)cc1
• InChI: InChI=1S/C66H42N4.C65H41N5.C62H38N4/c1-5-19-44(20-6-1)58-42-59(69-65(68-58)47-23-9-3-10-24-47)45-35-33-43(34-36-45)48-37-39-53-52(41-48)63-56(40-38-51-62(63)50-27-13-16-30-57(50)67-64(51)46-21-7-2-8-22-46)66(53)54-28-14-17-31-60(54)70(49-25-11-4-12-26-49)61-32-18-15-29-55(61)66;1-3-17-44(18-4-1)64-52-40-51-48-34-33-45(42-29-31-43(32-30-42)46-38-60(58-25-13-15-35-66-58)68-61(39-46)59-26-14-16-36-67-59)37-55(48)65(56(51)41-50(52)49-21-7-10-24-57(49)69-64)53-22-8-11-27-62(53)70(47-19-5-2-6-20-47)63-28-12-9-23-54(63)65;1-4-16-39(17-5-1)54-34-31-41-28-29-42-32-35-55(64-61(42)60(41)63-54)43-30-33-45-48-37-49-47(46-22-10-13-25-56(46)65-59(49)40-18-6-2-7-19-40)38-53(48)62(52(45)36-43)50-23-11-14-26-57(50)66(44-20-8-3-9-21-44)58-27-15-12-24-51(58)62/h1-42H;1-41H;1-38H
• InChIKey: WRVTZIVXYVIPTN-UHFFFAOYSA-N
• XLogP: 48.35
• TPSA: 138.62 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2622.18
LogP ≤ 5	48.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]?

The IUPAC name of 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine] (CID 165090978) is 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine].

What is the SMILES notation for 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]?

The canonical SMILES for 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine] is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)-c4c(ccc6c(-c7ccccc7)nc7ccccc7c46)C54c5ccccc5N(c5ccccc5)c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C5(c7cc8c(cc7-6)c(-c6ccccc6)nc6ccccc68)c6ccccc6N(c6ccccc6)c6ccccc65)nc4c3n2)cc1.c1ccc(-c2nc3ccccc3c3cc4c(cc23)-c2ccc(-c3ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc3)cc2C42c3ccccc3N(c3ccccc3)c3ccccc32)cc1.

What is the InChIKey of 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]?

The InChIKey is WRVTZIVXYVIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4.C65H41N5.C62H38N4/c1-5-19-44(20-6-1)58-42-59(69-65(68-58)47-23-9-3-10-24-47)45-35-33-43(34-36-45)48-37-39-53-52(41-48)63-56(40-38-51-62(63)50-27-13-16-30-57(50)67-64(51)46-21-7-2-8-22-46)66(53)54-28-14-17-31-60(54)70(49-25-11-4-12-26-49)61-32-18-15-29-55(61)66;1-3-17-44(18-4-1)64-52-40-51-48-34-33-45(42-29-31-43(32-30-42)46-38-60(58-25-13-15-35-66-58)68-61(39-46)59-26-14-16-36-67-59)37-55(48)65(56(51)41-50(52)49-21-7-10-24-57(49)69-64)53-22-8-11-27-62(53)70(47-19-5-2-6-20-47)63-28-12-9-23-54(63)65;1-4-16-39(17-5-1)54-34-31-41-28-29-42-32-35-55(64-61(42)60(41)63-54)43-30-33-45-48-37-49-47(46-22-10-13-25-56(46)65-59(49)40-18-6-2-7-19-40)38-53(48)62(52(45)36-43)50-23-11-14-26-57(50)66(44-20-8-3-9-21-44)58-27-15-12-24-51(58)62/h1-42H;1-41H;1-38H.

What are the key properties of 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine]?

10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine] has a molecular weight of 2622.18 g/mol, XLogP of 48.35, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10',21-diphenyl-7-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine];5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10',14-diphenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-acridine];7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10',21-diphenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-10,9'-acridine] is sourced from PubChem (CID 165090978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).