N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine

C135H85N3O5 — CID 165059455

About N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine

N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 165059455) has the molecular formula C135H85N3O5 and a molecular weight of 1829.18 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 165059455
• Molecular Formula: C135H85N3O5
• Molecular Weight: 1829.18 g/mol
• Exact Mass: 1827.65
• IUPAC Name: N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: CC1(C)c2ccccc2-c2c1c1ccccc1c1c2ccc2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc21.c1ccc(N(c2ccc(-c3ccc4c(ccc5c4c4ccccc4c4oc6ccccc6c54)c3)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c(ccc4c3c3ccccc3c3oc5ccccc5c43)c2)c2ccc3c(c2)oc2ccccc23)cc1
• InChI: InChI=1S/C48H29NO2.C45H31NO.C42H25NO2/c1-2-11-33(12-3-1)49(42-18-10-17-38-36-13-6-8-19-43(36)50-47(38)42)34-25-21-30(22-26-34)31-23-27-35-32(29-31)24-28-41-45(35)37-14-4-5-15-39(37)48-46(41)40-16-7-9-20-44(40)51-48;1-45(2)39-18-10-8-17-37(39)43-38-23-20-28-26-30(21-24-32(28)42(38)35-15-6-7-16-36(35)44(43)45)46(29-12-4-3-5-13-29)31-22-25-34-33-14-9-11-19-40(33)47-41(34)27-31;1-2-10-27(11-3-1)43(29-20-23-32-31-12-6-8-16-37(31)44-39(32)25-29)28-19-22-30-26(24-28)18-21-36-40(30)33-13-4-5-14-34(33)42-41(36)35-15-7-9-17-38(35)45-42/h1-29H;3-27H,1-2H3;1-25H
• InChIKey: QYRCAHIZMKVIRB-UHFFFAOYSA-N
• XLogP: 39.32
• TPSA: 75.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1829.18
LogP ≤ 5	39.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine (CID 165059455) is N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine is CC1(C)c2ccccc2-c2c1c1ccccc1c1c2ccc2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)ccc21.c1ccc(N(c2ccc(-c3ccc4c(ccc5c4c4ccccc4c4oc6ccccc6c54)c3)cc2)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3c(ccc4c3c3ccccc3c3oc5ccccc5c43)c2)c2ccc3c(c2)oc2ccccc23)cc1.

What is the InChIKey of N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is QYRCAHIZMKVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2.C45H31NO.C42H25NO2/c1-2-11-33(12-3-1)49(42-18-10-17-38-36-13-6-8-19-43(36)50-47(38)42)34-25-21-30(22-26-34)31-23-27-35-32(29-31)24-28-41-45(35)37-14-4-5-15-39(37)48-46(41)40-16-7-9-20-44(40)51-48;1-45(2)39-18-10-8-17-37(39)43-38-23-20-28-26-30(21-24-32(28)42(38)35-15-6-7-16-36(35)44(43)45)46(29-12-4-3-5-13-29)31-22-25-34-33-14-9-11-19-40(33)47-41(34)27-31;1-2-10-27(11-3-1)43(29-20-23-32-31-12-6-8-16-37(31)44-39(32)25-29)28-19-22-30-26(24-28)18-21-36-40(30)33-13-4-5-14-34(33)42-41(36)35-15-7-9-17-38(35)45-42/h1-29H;3-27H,1-2H3;1-25H.

What are the key properties of N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine?

N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1829.18 g/mol, XLogP of 39.32, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-3-yl-N-phenyl-9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-N-phenyldibenzofuran-3-amine;N-[4-(9-oxahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-yl)phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 165059455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).