10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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

C95H82N8 — CID 88555770

About 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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 88555770) has the molecular formula C95H82N8 and a molecular weight of 1335.76 g/mol. Its IUPAC name is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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: 88555770
• Molecular Formula: C95H82N8
• Molecular Weight: 1335.76 g/mol
• Exact Mass: 1334.67
• IUPAC Name: 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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: CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4c(N(c5ccc(C(C)C)cc5)c5ccc6ncccc6c5)c5ccc(N(c6ccc(C(C)C)cc6)c6ccc7ncccc7c6)cc5c(N(c5ccc(C(C)C)cc5)c5ccc6ncccc6c5)c4cc2-3)c2ccc3ncccc3c2)cc1
• InChI: InChI=1S/C95H82N8/c1-59(2)63-19-27-71(28-20-63)100(75-37-43-89-67(51-75)15-11-47-96-89)79-36-42-82-84(55-79)94(103(74-33-25-66(26-34-74)62(7)8)78-40-46-92-70(54-78)18-14-50-99-92)85-57-83-81-41-35-80(101(72-29-21-64(22-30-72)60(3)4)76-38-44-90-68(52-76)16-12-48-97-90)56-87(81)95(9,10)88(83)58-86(85)93(82)102(73-31-23-65(24-32-73)61(5)6)77-39-45-91-69(53-77)17-13-49-98-91/h11-62H,1-10H3
• InChIKey: KSLAALJJSCTZCQ-UHFFFAOYSA-N
• XLogP: 26.86
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.76
LogP ≤ 5	26.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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 88555770) is 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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 CC(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc4c(N(c5ccc(C(C)C)cc5)c5ccc6ncccc6c5)c5ccc(N(c6ccc(C(C)C)cc6)c6ccc7ncccc7c6)cc5c(N(c5ccc(C(C)C)cc5)c5ccc6ncccc6c5)c4cc2-3)c2ccc3ncccc3c2)cc1.

What is the InChIKey of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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 KSLAALJJSCTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H82N8/c1-59(2)63-19-27-71(28-20-63)100(75-37-43-89-67(51-75)15-11-47-96-89)79-36-42-82-84(55-79)94(103(74-33-25-66(26-34-74)62(7)8)78-40-46-92-70(54-78)18-14-50-99-92)85-57-83-81-41-35-80(101(72-29-21-64(22-30-72)60(3)4)76-38-44-90-68(52-76)16-12-48-97-90)56-87(81)95(9,10)88(83)58-86(85)93(82)102(73-31-23-65(24-32-73)61(5)6)77-39-45-91-69(53-77)17-13-49-98-91/h11-62H,1-10H3.

What are the key properties of 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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 1335.76 g/mol, XLogP of 26.86, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-7-N,14-N,18-N,21-N-tetrakis(4-propan-2-ylphenyl)-7-N,14-N,18-N,21-N-tetra(quinolin-6-yl)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 88555770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).