9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine

C108H105N — CID 161490284

About 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine

9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine (PubChem CID 161490284) has the molecular formula C108H105N and a molecular weight of 1417.03 g/mol. Its IUPAC name is 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine.

Molecular Properties

• Compound Name: 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
• PubChem CID: 161490284
• Molecular Formula: C108H105N
• Molecular Weight: 1417.03 g/mol
• Exact Mass: 1415.82
• IUPAC Name: 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
• SMILES: CCCCCCC1(CCCCCC)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccccc2)c2ccccc12)C3(CCCCCC)CCCCCC.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C60H73N.C48H32/c1-5-9-13-27-39-59(40-28-14-10-6-2)53-38-26-25-35-48(53)51-43-55-52(44-54(51)59)58-50-37-24-23-36-49(50)57(61(46-31-19-17-20-32-46)47-33-21-18-22-34-47)45-56(58)60(55,41-29-15-11-7-3)42-30-16-12-8-4;1-2-15-34(16-3-1)47-43-25-6-8-27-45(43)48(46-28-9-7-26-44(46)47)40-23-12-21-38(32-40)36-19-10-18-35(30-36)37-20-11-22-39(31-37)42-29-13-17-33-14-4-5-24-41(33)42/h17-26,31-38,43-45H,5-16,27-30,39-42H2,1-4H3;1-32H
• InChIKey: WFNANZIZHYBMQB-UHFFFAOYSA-N
• XLogP: 32.21
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 28
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1417.03
LogP ≤ 5	32.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

The IUPAC name of 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine (CID 161490284) is 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine.

What is the SMILES notation for 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

The canonical SMILES for 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine is CCCCCCC1(CCCCCC)c2ccccc2-c2cc3c(cc21)-c1c(cc(N(c2ccccc2)c2ccccc2)c2ccccc12)C3(CCCCCC)CCCCCC.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)c3)c3ccccc23)cc1.

What is the InChIKey of 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

The InChIKey is WFNANZIZHYBMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H73N.C48H32/c1-5-9-13-27-39-59(40-28-14-10-6-2)53-38-26-25-35-48(53)51-43-55-52(44-54(51)59)58-50-37-24-23-36-49(50)57(61(46-31-19-17-20-32-46)47-33-21-18-22-34-47)45-56(58)60(55,41-29-15-11-7-3)42-30-16-12-8-4;1-2-15-34(16-3-1)47-43-25-6-8-27-45(43)48(46-28-9-7-26-44(46)47)40-23-12-21-38(32-40)36-19-10-18-35(30-36)37-20-11-22-39(31-37)42-29-13-17-33-14-4-5-24-41(33)42/h17-26,31-38,43-45H,5-16,27-30,39-42H2,1-4H3;1-32H.

What are the key properties of 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?

9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine has a molecular weight of 1417.03 g/mol, XLogP of 32.21, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;12,12,22,22-tetrahexyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine is sourced from PubChem (CID 161490284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).