10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

C111H78N4 — CID 88555768

About 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine

10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (PubChem CID 88555768) has the molecular formula C111H78N4 and a molecular weight of 1467.87 g/mol. Its IUPAC name is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

Molecular Properties

• Compound Name: 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
• PubChem CID: 88555768
• Molecular Formula: C111H78N4
• Molecular Weight: 1467.87 g/mol
• Exact Mass: 1466.62
• IUPAC Name: 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine
• SMILES: CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)ccc2-c2cc3c(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)c4cc(N(c5cccc(-c6ccccc6)c5)c5ccc6ccccc6c5)ccc4c(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)c3cc21
• InChI: InChI=1S/C111H78N4/c1-111(2)107-72-100(113(96-56-52-80-36-16-20-40-84(80)68-96)92-48-24-44-88(64-92)76-29-9-4-10-30-76)59-61-101(107)103-73-105-106(74-108(103)111)109(114(97-57-53-81-37-17-21-41-85(81)69-97)93-49-25-45-89(65-93)77-31-11-5-12-32-77)102-62-60-99(112(95-55-51-79-35-15-19-39-83(79)67-95)91-47-23-43-87(63-91)75-27-7-3-8-28-75)71-104(102)110(105)115(98-58-54-82-38-18-22-42-86(82)70-98)94-50-26-46-90(66-94)78-33-13-6-14-34-78/h3-74H,1-2H3
• InChIKey: BTGIOKHBGUYKOI-UHFFFAOYSA-N
• XLogP: 31.46
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.87
LogP ≤ 5	31.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The IUPAC name of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine (CID 88555768) is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine.

What is the SMILES notation for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The canonical SMILES for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is CC1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc4ccccc4c3)ccc2-c2cc3c(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)c4cc(N(c5cccc(-c6ccccc6)c5)c5ccc6ccccc6c5)ccc4c(N(c4cccc(-c5ccccc5)c4)c4ccc5ccccc5c4)c3cc21.

What is the InChIKey of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

The InChIKey is BTGIOKHBGUYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H78N4/c1-111(2)107-72-100(113(96-56-52-80-36-16-20-40-84(80)68-96)92-48-24-44-88(64-92)76-29-9-4-10-30-76)59-61-101(107)103-73-105-106(74-108(103)111)109(114(97-57-53-81-37-17-21-41-85(81)69-97)93-49-25-45-89(65-93)77-31-11-5-12-32-77)102-62-60-99(112(95-55-51-79-35-15-19-39-83(79)67-95)91-47-23-43-87(63-91)75-27-7-3-8-28-75)71-104(102)110(105)115(98-58-54-82-38-18-22-42-86(82)70-98)94-50-26-46-90(66-94)78-33-13-6-14-34-78/h3-74H,1-2H3.

What are the key properties of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine?

10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine has a molecular weight of 1467.87 g/mol, XLogP of 31.46, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetranaphthalen-2-yl-7-N,14-N,18-N,21-N-tetrakis(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,14,18,21-tetramine is sourced from PubChem (CID 88555768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).