N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine

C202H135N5O3S — CID 165052838

About N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine

N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine (PubChem CID 165052838) has the molecular formula C202H135N5O3S and a molecular weight of 2712.40 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine
• PubChem CID: 165052838
• Molecular Formula: C202H135N5O3S
• Molecular Weight: 2712.40 g/mol
• Exact Mass: 2710.03
• IUPAC Name: N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine
• SMILES: CC1(C)c2ccccc2-c2ccc3ccc4ccc5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)ccc5c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4c3c21.c1ccc(N(c2ccc3c(ccc4ccc5ccc6c7ccccc7oc6c5c43)c2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(ccc4ccc5ccc6c7ccccc7oc6c5c43)c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(ccc4ccc5ccc6c7ccccc7sc6c5c43)c2)cc1
• InChI: InChI=1S/C49H35N.C42H25NO2.C39H29N.C36H23NO.C36H23NS/c1-49(2)45-15-9-8-14-43(45)44-28-23-36-17-16-35-18-19-38-31-41(27-29-42(38)46(35)47(36)48(44)49)50(40-26-22-33-12-6-7-13-37(33)30-40)39-24-20-34(21-25-39)32-10-4-3-5-11-32;1-2-9-29(10-3-1)43(35-13-8-16-38-41(35)34-12-5-7-15-37(34)44-38)30-22-24-31-28(25-30)20-19-26-17-18-27-21-23-33-32-11-4-6-14-36(32)45-42(33)40(27)39(26)31;1-39(2)35-16-10-9-15-33(35)34-23-21-27-18-17-26-19-20-28-25-31(22-24-32(28)36(26)37(27)38(34)39)40(29-11-5-3-6-12-29)30-13-7-4-8-14-30;2*1-3-9-27(10-4-1)37(28-11-5-2-6-12-28)29-20-22-30-26(23-29)18-17-24-15-16-25-19-21-32-31-13-7-8-14-33(31)38-36(32)35(25)34(24)30/h3-31H,1-2H3;1-25H;3-25H,1-2H3;2*1-23H
• InChIKey: PYBSQHQHVYWHNF-UHFFFAOYSA-N
• XLogP: 58.58
• TPSA: 55.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2712.40
LogP ≤ 5	58.58
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 N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine?

The IUPAC name of N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine (CID 165052838) is N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine?

The canonical SMILES for N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine is CC1(C)c2ccccc2-c2ccc3ccc4ccc5cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)ccc5c4c3c21.CC1(C)c2ccccc2-c2ccc3ccc4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4c3c21.c1ccc(N(c2ccc3c(ccc4ccc5ccc6c7ccccc7oc6c5c43)c2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(ccc4ccc5ccc6c7ccccc7oc6c5c43)c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(ccc4ccc5ccc6c7ccccc7sc6c5c43)c2)cc1.

What is the InChIKey of N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine?

The InChIKey is PYBSQHQHVYWHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N.C42H25NO2.C39H29N.C36H23NO.C36H23NS/c1-49(2)45-15-9-8-14-43(45)44-28-23-36-17-16-35-18-19-38-31-41(27-29-42(38)46(35)47(36)48(44)49)50(40-26-22-33-12-6-7-13-37(33)30-40)39-24-20-34(21-25-39)32-10-4-3-5-11-32;1-2-9-29(10-3-1)43(35-13-8-16-38-41(35)34-12-5-7-15-37(34)44-38)30-22-24-31-28(25-30)20-19-26-17-18-27-21-23-33-32-11-4-6-14-36(32)45-42(33)40(27)39(26)31;1-39(2)35-16-10-9-15-33(35)34-23-21-27-18-17-26-19-20-28-25-31(22-24-32(28)36(26)37(27)38(34)39)40(29-11-5-3-6-12-29)30-13-7-4-8-14-30;2*1-3-9-27(10-4-1)37(28-11-5-2-6-12-28)29-20-22-30-26(23-29)18-17-24-15-16-25-19-21-32-31-13-7-8-14-33(31)38-36(32)35(25)34(24)30/h3-31H,1-2H3;1-25H;3-25H,1-2H3;2*1-23H.

What are the key properties of N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine?

N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine has a molecular weight of 2712.40 g/mol, XLogP of 58.58, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-N-phenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N,N-diphenylhexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;24,24-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-oxahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine;N,N-diphenyl-24-thiahexacyclo[12.11.0.02,11.03,8.017,25.018,23]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),18,20,22-dodecaen-6-amine is sourced from PubChem (CID 165052838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).