15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

C137H86N6O3 — CID 159912308

About 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 159912308) has the molecular formula C137H86N6O3 and a molecular weight of 1864.23 g/mol. Its IUPAC name is 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
• PubChem CID: 159912308
• Molecular Formula: C137H86N6O3
• Molecular Weight: 1864.23 g/mol
• Exact Mass: 1862.68
• IUPAC Name: 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-n3c4cc5c(cc4c4c6oc7ccccc7c6ccc43)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc5c(cc4c4c6oc7ccccc7c6ccc43)c3ccccc3n5-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6oc7ccccc7c6ccc5n(-c5cc6ccccc6c6ccccc56)c4cc32)cc1
• InChI: InChI=1S/C48H30N2O.C45H30N2O.C44H26N2O/c1-4-14-31(15-5-1)33-26-34(32-16-6-2-7-17-32)28-36(27-33)50-43-25-24-39-38-21-11-13-23-46(38)51-48(39)47(43)41-29-40-37-20-10-12-22-42(37)49(44(40)30-45(41)50)35-18-8-3-9-19-35;1-45(2)36-17-9-6-14-29(36)30-21-20-28(24-37(30)45)47-39-23-22-33-32-16-8-11-19-42(32)48-44(33)43(39)35-25-34-31-15-7-10-18-38(31)46(40(34)26-41(35)47)27-12-4-3-5-13-27;1-2-13-28(14-3-1)45-37-20-10-8-18-32(37)35-25-36-41(26-40(35)45)46(38-23-22-34-33-19-9-11-21-42(33)47-44(34)43(36)38)39-24-27-12-4-5-15-29(27)30-16-6-7-17-31(30)39/h1-30H;3-26H,1-2H3;1-26H
• InChIKey: NXIJFNRTBHWUGO-UHFFFAOYSA-N
• XLogP: 37.29
• TPSA: 69.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1864.23
LogP ≤ 5	37.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

The IUPAC name of 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (CID 159912308) is 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4cc5c(cc4c4c6oc7ccccc7c6ccc43)c3ccccc3n5-c3ccccc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc5c(cc4c4c6oc7ccccc7c6ccc43)c3ccccc3n5-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc4c5c6oc7ccccc7c6ccc5n(-c5cc6ccccc6c6ccccc56)c4cc32)cc1.

What is the InChIKey of 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

The InChIKey is NXIJFNRTBHWUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C45H30N2O.C44H26N2O/c1-4-14-31(15-5-1)33-26-34(32-16-6-2-7-17-32)28-36(27-33)50-43-25-24-39-38-21-11-13-23-46(38)51-48(39)47(43)41-29-40-37-20-10-12-22-42(37)49(44(40)30-45(41)50)35-18-8-3-9-19-35;1-45(2)36-17-9-6-14-29(36)30-21-20-28(24-37(30)45)47-39-23-22-33-32-16-8-11-19-42(32)48-44(33)43(39)35-25-34-31-15-7-10-18-38(31)46(40(34)26-41(35)47)27-12-4-3-5-13-27;1-2-13-28(14-3-1)45-37-20-10-8-18-32(37)35-25-36-41(26-40(35)45)46(38-23-22-34-33-19-9-11-21-42(33)47-44(34)43(36)38)39-24-27-12-4-5-15-29(27)30-16-6-7-17-31(30)39/h1-30H;3-26H,1-2H3;1-26H.

What are the key properties of 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?

15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 1864.23 g/mol, XLogP of 37.29, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-(3,5-diphenylphenyl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene;15-phenanthren-9-yl-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 159912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).