9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]

C174H117N9O3 — CID 158978466

About 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]

9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] (PubChem CID 158978466) has the molecular formula C174H117N9O3 and a molecular weight of 2381.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine].

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
• PubChem CID: 158978466
• Molecular Formula: C174H117N9O3
• Molecular Weight: 2381.91 g/mol
• Exact Mass: 2379.93
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5O6)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4O5)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5cc43)c3ccccc32)cc1
• InChI: InChI=1S/C64H45N3O.C55H35N3O.C55H37N3O/c1-63(2)51-25-11-9-23-47(51)48-38-37-46(39-55(48)63)65(42-19-5-3-6-20-42)44-33-35-45(36-34-44)66-57-29-15-10-24-49(57)50-40-62-56(41-60(50)66)64(54-28-14-18-32-61(54)68-62)52-26-12-16-30-58(52)67(43-21-7-4-8-22-43)59-31-17-13-27-53(59)64;1-3-17-36(18-4-1)56-47-26-12-7-21-39(47)41-33-38(31-32-49(41)56)58-48-27-13-8-22-40(48)42-34-54-46(35-52(42)58)55(45-25-11-16-30-53(45)59-54)43-23-9-14-28-50(43)57(37-19-5-2-6-20-37)51-29-15-10-24-44(51)55;1-4-18-38(19-5-1)56(39-20-6-2-7-21-39)41-32-34-42(35-33-41)57-49-28-14-10-24-43(49)44-36-54-48(37-52(44)57)55(47-27-13-17-31-53(47)59-54)45-25-11-15-29-50(45)58(40-22-8-3-9-23-40)51-30-16-12-26-46(51)55/h3-41H,1-2H3;1-35H;1-37H
• InChIKey: JORNYELORSJLHK-UHFFFAOYSA-N
• XLogP: 45.51
• TPSA: 63.61 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.91
LogP ≤ 5	45.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] (CID 158978466) is 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine].

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5cc6c(cc54)C4(c5ccccc5O6)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4O5)c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c6ccccc6n(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5cc43)c3ccccc32)cc1.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?

The InChIKey is JORNYELORSJLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N3O.C55H35N3O.C55H37N3O/c1-63(2)51-25-11-9-23-47(51)48-38-37-46(39-55(48)63)65(42-19-5-3-6-20-42)44-33-35-45(36-34-44)66-57-29-15-10-24-49(57)50-40-62-56(41-60(50)66)64(54-28-14-18-32-61(54)68-62)52-26-12-16-30-58(52)67(43-21-7-4-8-22-43)59-31-17-13-27-53(59)64;1-3-17-36(18-4-1)56-47-26-12-7-21-39(47)41-33-38(31-32-49(41)56)58-48-27-13-8-22-40(48)42-34-54-46(35-52(42)58)55(45-25-11-16-30-53(45)59-54)43-23-9-14-28-50(43)57(37-19-5-2-6-20-37)51-29-15-10-24-44(51)55;1-4-18-38(19-5-1)56(39-20-6-2-7-21-39)41-32-34-42(35-33-41)57-49-28-14-10-24-43(49)44-36-54-48(37-52(44)57)55(47-27-13-17-31-53(47)59-54)45-25-11-15-29-50(45)58(40-22-8-3-9-23-40)51-30-16-12-26-46(51)55/h3-41H,1-2H3;1-35H;1-37H.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]?

9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] has a molecular weight of 2381.91 g/mol, XLogP of 45.51, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10'-phenylspiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]-10-yl)aniline;10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] is sourced from PubChem (CID 158978466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).