N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine

C78H46N4O2 — CID 138745135

About N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 138745135) has the molecular formula C78H46N4O2 and a molecular weight of 1071.25 g/mol. Its IUPAC name is N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 138745135
• Molecular Formula: C78H46N4O2
• Molecular Weight: 1071.25 g/mol
• Exact Mass: 1070.36
• IUPAC Name: N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: c1ccc(N(c2cccc(-c3cccc4c3c3cccc5c6cc7c(cc6n4c53)c3cccc4c5c(-c6cccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)c6)cccc5n7c34)c2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C78H46N4O2/c1-3-21-49(22-4-1)79(67-39-17-33-59-55-27-7-9-41-71(55)83-77(59)67)51-25-11-19-47(43-51)53-29-15-37-65-73(53)61-35-13-31-57-63-46-70-64(45-69(63)81(65)75(57)61)58-32-14-36-62-74-54(30-16-38-66(74)82(70)76(58)62)48-20-12-26-52(44-48)80(50-23-5-2-6-24-50)68-40-18-34-60-56-28-8-10-42-72(56)84-78(60)68/h1-46H
• InChIKey: NFFXICQPYWWDCC-UHFFFAOYSA-N
• XLogP: 22.06
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.25
LogP ≤ 5	22.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 138745135) is N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(N(c2cccc(-c3cccc4c3c3cccc5c6cc7c(cc6n4c53)c3cccc4c5c(-c6cccc(N(c8ccccc8)c8cccc9c8oc8ccccc89)c6)cccc5n7c34)c2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is NFFXICQPYWWDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N4O2/c1-3-21-49(22-4-1)79(67-39-17-33-59-55-27-7-9-41-71(55)83-77(59)67)51-25-11-19-47(43-51)53-29-15-37-65-73(53)61-35-13-31-57-63-46-70-64(45-69(63)81(65)75(57)61)58-32-14-36-62-74-54(30-16-38-66(74)82(70)76(58)62)48-20-12-26-52(44-48)80(50-23-5-2-6-24-50)68-40-18-34-60-56-28-8-10-42-72(56)84-78(60)68/h1-46H.

What are the key properties of N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine?

N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1071.25 g/mol, XLogP of 22.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[25-[3-(N-dibenzofuran-4-ylanilino)phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-10-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 138745135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).