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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene

C75H68N2 — CID 145354879

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene (PubChem CID 145354879) has the molecular formula C75H68N2 and a molecular weight of 997.38 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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene.

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene
• PubChem CID: 145354879
• Molecular Formula: C75H68N2
• Molecular Weight: 997.38 g/mol
• Exact Mass: 996.54
• 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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene
• SMILES: CC.CCCC.Cc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c6cccc7c8ccccc8n(c45)c76)cc3)cc2)ccc1-c1cc(-c2ccccc2)ccc1C.Cc1ccccc1
• InChI: InChI=1S/C62H44N2.C7H8.C4H10.C2H6/c1-41-23-24-49(44-15-7-4-8-16-44)40-59(41)53-38-31-48(39-42(53)2)46-27-34-51(35-28-46)63(50-32-25-45(26-33-50)43-13-5-3-6-14-43)52-36-29-47(30-37-52)54-18-11-20-57-58-21-12-19-56-55-17-9-10-22-60(55)64(61(54)57)62(56)58;1-7-5-3-2-4-6-7;1-3-4-2;1-2/h3-40H,1-2H3;2-6H,1H3;3-4H2,1-2H3;1-2H3
• InChIKey: WXUWPFHPTLXACG-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.38
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene?

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene (CID 145354879) 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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene.

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene?

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene is CC.CCCC.Cc1cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c6cccc7c8ccccc8n(c45)c76)cc3)cc2)ccc1-c1cc(-c2ccccc2)ccc1C.Cc1ccccc1.

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene?

The InChIKey is WXUWPFHPTLXACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2.C7H8.C4H10.C2H6/c1-41-23-24-49(44-15-7-4-8-16-44)40-59(41)53-38-31-48(39-42(53)2)46-27-34-51(35-28-46)63(50-32-25-45(26-33-50)43-13-5-3-6-14-43)52-36-29-47(30-37-52)54-18-11-20-57-58-21-12-19-56-55-17-9-10-22-60(55)64(61(54)57)62(56)58;1-7-5-3-2-4-6-7;1-3-4-2;1-2/h3-40H,1-2H3;2-6H,1H3;3-4H2,1-2H3;1-2H3.

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene?

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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene has a molecular weight of 997.38 g/mol, XLogP of 22.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 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-3-yl)phenyl]-N-[4-[3-methyl-4-(2-methyl-5-phenylphenyl)phenyl]phenyl]-4-phenylaniline;butane;ethane;toluene is sourced from PubChem (CID 145354879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).