N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine

C129H101N5O5 — CID 163915110

About N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine

N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine (PubChem CID 163915110) has the molecular formula C129H101N5O5 and a molecular weight of 1801.26 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine
• PubChem CID: 163915110
• Molecular Formula: C129H101N5O5
• Molecular Weight: 1801.26 g/mol
• Exact Mass: 1799.78
• IUPAC Name: N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(ccc3c2oc2c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cccc23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3oc4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4c23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4c23)C1(C)C
• InChI: InChI=1S/C45H35N3O.2C42H33NO2/c1-44(2)35-21-12-11-20-33(35)39-36(45(44,3)4)23-25-38-40(39)34-27-31(22-24-37(34)49-38)30-18-13-19-32(26-30)43-47-41(28-14-7-5-8-15-28)46-42(48-43)29-16-9-6-10-17-29;1-41(2)33-18-10-8-16-32(33)38-34(42(41,3)4)24-23-31-30-17-12-19-35(39(30)45-40(31)38)43(26-13-6-5-7-14-26)27-21-22-29-28-15-9-11-20-36(28)44-37(29)25-27;1-41(2)33-16-10-8-15-31(33)39-34(42(41,3)4)21-23-37-40(39)32-24-27(19-22-36(32)44-37)43(26-12-6-5-7-13-26)28-18-20-30-29-14-9-11-17-35(29)45-38(30)25-28/h5-27H,1-4H3;2*5-25H,1-4H3
• InChIKey: QVNRLCBIHWPXAG-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 110.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1801.26
LogP ≤ 5	36.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine?

The IUPAC name of N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine (CID 163915110) is N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2c(ccc3c2oc2c(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cccc23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3oc4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4c23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3oc4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4c23)C1(C)C.

What is the InChIKey of N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine?

The InChIKey is QVNRLCBIHWPXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3O.2C42H33NO2/c1-44(2)35-21-12-11-20-33(35)39-36(45(44,3)4)23-25-38-40(39)34-27-31(22-24-37(34)49-38)30-18-13-19-32(26-30)43-47-41(28-14-7-5-8-15-28)46-42(48-43)29-16-9-6-10-17-29;1-41(2)33-18-10-8-16-32(33)38-34(42(41,3)4)24-23-31-30-17-12-19-35(39(30)45-40(31)38)43(26-13-6-5-7-14-26)27-21-22-29-28-15-9-11-20-36(28)44-37(29)25-27;1-41(2)33-16-10-8-15-31(33)39-34(42(41,3)4)21-23-37-40(39)32-24-27(19-22-36(32)44-37)43(26-12-6-5-7-13-26)28-18-20-30-29-14-9-11-17-35(29)45-38(30)25-28/h5-27H,1-4H3;2*5-25H,1-4H3.

What are the key properties of N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine?

N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine has a molecular weight of 1801.26 g/mol, XLogP of 36.06, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-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-amine;N-dibenzofuran-3-yl-14,14,15,15-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;2,4-diphenyl-6-[3-(14,14,15,15-tetramethyl-9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 163915110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).