N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane

C82H70N2 — CID 144521052

About N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane

N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane (PubChem CID 144521052) has the molecular formula C82H70N2 and a molecular weight of 1083.48 g/mol. Its IUPAC name is N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane.

Molecular Properties

• Compound Name: N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane
• PubChem CID: 144521052
• Molecular Formula: C82H70N2
• Molecular Weight: 1083.48 g/mol
• Exact Mass: 1082.55
• IUPAC Name: N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane
• SMILES: C/C=C\C.C/C=C\C.CC.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(-c7cc8c9ccccc9n9c%10ccccc%10c(c7)c89)cc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C72H48N2.2C4H8.C2H6/c1-3-11-49(12-4-1)51-19-23-55(24-20-51)58-35-41-63(42-36-58)73(64-43-37-59(38-44-64)56-25-21-52(22-26-56)50-13-5-2-6-14-50)65-45-39-60(40-46-65)57-29-27-53(28-30-57)54-31-33-61(34-32-54)62-47-68-66-15-7-9-17-70(66)74-71-18-10-8-16-67(71)69(48-62)72(68)74;2*1-3-4-2;1-2/h1-48H;2*3-4H,1-2H3;1-2H3/b;2*4-3-
• InChIKey: LNEJKCASGOYAPD-QDMRRLORSA-N
• XLogP: 24.17
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.48
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane?

The IUPAC name of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane (CID 144521052) is N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane.

What is the SMILES notation for N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane?

The canonical SMILES for N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane is C/C=C\C.C/C=C\C.CC.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4ccc(-c5ccc(-c6ccc(-c7cc8c9ccccc9n9c%10ccccc%10c(c7)c89)cc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane?

The InChIKey is LNEJKCASGOYAPD-QDMRRLORSA-N. The full InChI is InChI=1S/C72H48N2.2C4H8.C2H6/c1-3-11-49(12-4-1)51-19-23-55(24-20-51)58-35-41-63(42-36-58)73(64-43-37-59(38-44-64)56-25-21-52(22-26-56)50-13-5-2-6-14-50)65-45-39-60(40-46-65)57-29-27-53(28-30-57)54-31-33-61(34-32-54)62-47-68-66-15-7-9-17-70(66)74-71-18-10-8-16-67(71)69(48-62)72(68)74;2*1-3-4-2;1-2/h1-48H;2*3-4H,1-2H3;1-2H3/b;2*4-3-;.

What are the key properties of N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane?

N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane has a molecular weight of 1083.48 g/mol, XLogP of 24.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;bis((Z)-but-2-ene);ethane is sourced from PubChem (CID 144521052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).