N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

C60H40N2O — CID 118186893

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 118186893) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 118186893
• Molecular Formula: C60H40N2O
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.31
• IUPAC Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: C1=Cc2c(oc3ccccc23)C(c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)cc2)C1
• InChI: InChI=1S/C60H40N2O/c1-2-10-39(11-3-1)40-20-22-41(23-21-40)42-24-31-46(32-25-42)61(48-35-28-44(29-36-48)49-14-8-17-54-51-13-5-7-19-58(51)63-60(49)54)47-33-26-43(27-34-47)45-30-37-57-55(38-45)53-16-9-15-52-50-12-4-6-18-56(50)62(57)59(52)53/h1-13,15-38,49H,14H2
• InChIKey: VRBIWGOCSVMING-UHFFFAOYSA-N
• XLogP: 16.60
• TPSA: 20.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.99
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 118186893) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is C1=Cc2c(oc3ccccc23)C(c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5c(c4)c4cccc6c7ccccc7n5c64)cc3)cc2)C1.

What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is VRBIWGOCSVMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-10-39(11-3-1)40-20-22-41(23-21-40)42-24-31-46(32-25-42)61(48-35-28-44(29-36-48)49-14-8-17-54-51-13-5-7-19-58(51)63-60(49)54)47-33-26-43(27-34-47)45-30-37-57-55(38-45)53-16-9-15-52-50-12-4-6-18-56(50)62(57)59(52)53/h1-13,15-38,49H,14H2.

What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline?

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 804.99 g/mol, XLogP of 16.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118186893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).