7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

C78H61N3O2 — CID 146666134

About 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine

7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine (PubChem CID 146666134) has the molecular formula C78H61N3O2 and a molecular weight of 1072.36 g/mol. Its IUPAC name is 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine.

Molecular Properties

• Compound Name: 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine
• PubChem CID: 146666134
• Molecular Formula: C78H61N3O2
• Molecular Weight: 1072.36 g/mol
• Exact Mass: 1071.48
• IUPAC Name: 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2cc4c(-n5c6ccccc6c6ccccc65)c5oc6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(C(C)(C)C)cc7)ccc6c5cc4cc23)cc1
• InChI: InChI=1S/C78H61N3O2/c1-77(2,3)55-29-37-59(38-30-55)79(57-33-25-52(26-34-57)50-17-9-7-10-18-50)61-41-43-65-68-45-54-46-69-66-44-42-62(80(60-39-31-56(32-40-60)78(4,5)6)58-35-27-53(28-36-58)51-19-11-8-12-20-51)48-73(66)83-76(69)75(67(54)49-74(68)82-72(65)47-61)81-70-23-15-13-21-63(70)64-22-14-16-24-71(64)81/h7-49H,1-6H3
• InChIKey: CXODSEKSLZAANB-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 37.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1072.36
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine?

The IUPAC name of 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine (CID 146666134) is 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine.

What is the SMILES notation for 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine?

The canonical SMILES for 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)oc2cc4c(-n5c6ccccc6c6ccccc65)c5oc6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(C(C)(C)C)cc7)ccc6c5cc4cc23)cc1.

What is the InChIKey of 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine?

The InChIKey is CXODSEKSLZAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H61N3O2/c1-77(2,3)55-29-37-59(38-30-55)79(57-33-25-52(26-34-57)50-17-9-7-10-18-50)61-41-43-65-68-45-54-46-69-66-44-42-62(80(60-39-31-56(32-40-60)78(4,5)6)58-35-27-53(28-36-58)51-19-11-8-12-20-51)48-73(66)83-76(69)75(67(54)49-74(68)82-72(65)47-61)81-70-23-15-13-21-63(70)64-22-14-16-24-71(64)81/h7-49H,1-6H3.

What are the key properties of 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine?

7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine has a molecular weight of 1072.36 g/mol, XLogP of 22.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,19-N-bis(4-tert-butylphenyl)-12-carbazol-9-yl-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4(9),5,7,11,13,15(23),17(22),18,20-undecaene-7,19-diamine is sourced from PubChem (CID 146666134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).