N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine

C135H109N7O3 — CID 163850169

About N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine

N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine (PubChem CID 163850169) has the molecular formula C135H109N7O3 and a molecular weight of 1877.40 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine
• PubChem CID: 163850169
• Molecular Formula: C135H109N7O3
• Molecular Weight: 1877.40 g/mol
• Exact Mass: 1875.86
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine
• SMILES: CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2cc3oc4ccccc4c3cc2C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2oc2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc23)C1(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4oc5ccc6c(c5c4c3)C(C)(C)C(C)(C)c3ccccc3-6)cc21
• InChI: InChI=1S/2C45H35N3O.C45H39NO/c1-44(2)36-24-12-11-21-35(36)38-37(45(44,3)4)26-25-34-33-23-14-22-32(39(33)49-40(34)38)30-19-13-20-31(27-30)43-47-41(28-15-7-5-8-16-28)46-42(48-43)29-17-9-6-10-18-29;1-44(2)37-25-31(22-23-33(37)35-27-40-36(26-38(35)45(44,3)4)34-20-11-12-21-39(34)49-40)30-18-13-19-32(24-30)43-47-41(28-14-7-5-8-15-28)46-42(48-43)29-16-9-6-10-17-29;1-43(2)36-18-12-10-16-31(36)33-22-20-30(27-38(33)43)46(28-14-8-7-9-15-28)29-21-24-39-35(26-29)41-40(47-39)25-23-34-32-17-11-13-19-37(32)44(3,4)45(5,6)42(34)41/h2*5-27H,1-4H3;7-27H,1-6H3
• InChIKey: OTRQSWYJIUEPLO-UHFFFAOYSA-N
• XLogP: 35.95
• TPSA: 120.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1877.40
LogP ≤ 5	35.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine (CID 163850169) is N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2cc3oc4ccccc4c3cc2C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2oc2c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc23)C1(C)C.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4oc5ccc6c(c5c4c3)C(C)(C)C(C)(C)c3ccccc3-6)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine?

The InChIKey is OTRQSWYJIUEPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H35N3O.C45H39NO/c1-44(2)36-24-12-11-21-35(36)38-37(45(44,3)4)26-25-34-33-23-14-22-32(39(33)49-40(34)38)30-19-13-20-31(27-30)43-47-41(28-15-7-5-8-16-28)46-42(48-43)29-17-9-6-10-18-29;1-44(2)37-25-31(22-23-33(37)35-27-40-36(26-38(35)45(44,3)4)34-20-11-12-21-39(34)49-40)30-18-13-19-32(24-30)43-47-41(28-14-7-5-8-15-28)46-42(48-43)29-16-9-6-10-17-29;1-43(2)36-18-12-10-16-31(36)33-22-20-30(27-38(33)43)46(28-14-8-7-9-15-28)29-21-24-39-35(26-29)41-40(47-39)25-23-34-32-17-11-13-19-37(32)44(3,4)45(5,6)42(34)41/h2*5-27H,1-4H3;7-27H,1-6H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine?

N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine has a molecular weight of 1877.40 g/mol, XLogP of 35.95, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(20,20,21,21-tetramethyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-17-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 163850169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).