N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline

C72H44N2O2 — CID 167166983

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 167166983) has the molecular formula C72H44N2O2 and a molecular weight of 969.16 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 167166983
• Molecular Formula: C72H44N2O2
• Molecular Weight: 969.16 g/mol
• Exact Mass: 968.34
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5c7c(ccc56)-c5ccccc5-n5c6ccccc6c6cccc-7c65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C72H44N2O2/c1-2-13-45(14-3-1)46-27-29-47(30-28-46)48-31-37-51(38-32-48)73(52-39-33-49(34-40-52)54-18-10-21-61-58-17-6-9-26-67(58)75-70(54)61)53-41-35-50(36-42-53)55-19-11-22-62-63-44-43-59-56-15-4-7-24-65(56)74-66-25-8-5-16-57(66)60-20-12-23-64(69(60)74)68(59)72(63)76-71(55)62/h1-44H
• InChIKey: PYWXPCOJNJELDX-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.16
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline (CID 167166983) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5c7c(ccc56)-c5ccccc5-n5c6ccccc6c6cccc-7c65)cc4)cc3)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline?

The InChIKey is PYWXPCOJNJELDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N2O2/c1-2-13-45(14-3-1)46-27-29-47(30-28-46)48-31-37-51(38-32-48)73(52-39-33-49(34-40-52)54-18-10-21-61-58-17-6-9-26-67(58)75-70(54)61)53-41-35-50(36-42-53)55-19-11-22-62-63-44-43-59-56-15-4-7-24-65(56)74-66-25-8-5-16-57(66)60-20-12-23-64(69(60)74)68(59)72(63)76-71(55)62/h1-44H.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline?

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline has a molecular weight of 969.16 g/mol, XLogP of 20.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5(10),6,8,12,15,17,19,22,24,26,28(32),29-pentadecaen-6-yl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 167166983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).