7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

C₁₂₈H₁₀₂N₄ — CID 146411992

About 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene

7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (PubChem CID 146411992) has the molecular formula C₁₂₈H₁₀₂N₄ and a molecular weight of 1696.25 g/mol. Its IUPAC name is 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
• PubChem CID: 146411992
• Molecular Formula: C₁₂₈H₁₀₂N₄
• Molecular Weight: 1696.25 g/mol
• Exact Mass: 1694.81
• IUPAC Name: 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene
• SMILES: CCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccc7c(c6)C(CC)(CC)c6nc8c(nc6-7)C(CC)(CC)c6cc(-c7c9ccccc9c(-c9ccccc9)c9ccccc79)ccc6-8)c5c4)c2)cc1C3(CC)CC
• InChI: InChI=1S/C128H102N4/c1-9-125(10-2)109-75-89(93-64-57-85(79-39-22-17-23-40-79)72-106(93)81-43-26-19-27-44-81)60-67-102(109)117-121(125)130-118-103-68-61-90(76-110(103)126(11-3,12-4)122(118)129-117)94-65-58-86(80-41-24-18-25-42-80)73-107(94)88-50-38-49-84(71-88)87-59-66-101-108(74-87)116(100-56-37-34-53-97(100)114(101)83-47-30-21-31-48-83)92-63-70-105-112(78-92)128(15-7,16-8)124-120(105)132-123-119(131-124)104-69-62-91(77-111(104)127(123,13-5)14-6)115-98-54-35-32-51-95(98)113(82-45-28-20-29-46-82)96-52-33-36-55-99(96)115/h17-78H,9-16H2,1-8H3
• InChIKey: GYVLJWYQZDJZQX-UHFFFAOYSA-N
• XLogP: 34.56
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1696.25
LogP ≤ 5	34.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

The IUPAC name of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene (CID 146411992) is 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene.

What is the SMILES notation for 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

The canonical SMILES for 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is CCC1(CC)c2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2-c2nc3c(nc21)-c1ccc(-c2ccc(-c4ccccc4)cc2-c2cccc(-c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccc7c(c6)C(CC)(CC)c6nc8c(nc6-7)C(CC)(CC)c6cc(-c7c9ccccc9c(-c9ccccc9)c9ccccc79)ccc6-8)c5c4)c2)cc1C3(CC)CC.

What is the InChIKey of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

The InChIKey is GYVLJWYQZDJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H102N4/c1-9-125(10-2)109-75-89(93-64-57-85(79-39-22-17-23-40-79)72-106(93)81-43-26-19-27-44-81)60-67-102(109)117-121(125)130-118-103-68-61-90(76-110(103)126(11-3,12-4)122(118)129-117)94-65-58-86(80-41-24-18-25-42-80)73-107(94)88-50-38-49-84(71-88)87-59-66-101-108(74-87)116(100-56-37-34-53-97(100)114(101)83-47-30-21-31-48-83)92-63-70-105-112(78-92)128(15-7,16-8)124-120(105)132-123-119(131-124)104-69-62-91(77-111(104)127(123,13-5)14-6)115-98-54-35-32-51-95(98)113(82-45-28-20-29-46-82)96-52-33-36-55-99(96)115/h17-78H,9-16H2,1-8H3.

What are the key properties of 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene?

7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene has a molecular weight of 1696.25 g/mol, XLogP of 34.56, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2,4-diphenylphenyl)-10,10,20,20-tetraethyl-17-[4-phenyl-2-[3-[10-phenyl-9-[10,10,20,20-tetraethyl-17-(10-phenylanthracen-9-yl)-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]anthracen-2-yl]phenyl]phenyl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene is sourced from PubChem (CID 146411992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146411992 — identifiers, structure, computed properties (public domain)

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