9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine

C70H62N4 — CID 167105313

About 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine

9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine (PubChem CID 167105313) has the molecular formula C70H62N4 and a molecular weight of 959.29 g/mol. Its IUPAC name is 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
• PubChem CID: 167105313
• Molecular Formula: C70H62N4
• Molecular Weight: 959.29 g/mol
• Exact Mass: 958.50
• IUPAC Name: 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
• SMILES: CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc4c(c3)CCCC4)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2ccc3c(c2)CCCC3)c2c3cc(C(C)(C)C)ccc3n5c12
• InChI: InChI=1S/C70H62N4/c1-69(2,3)47-27-33-59-57(39-47)65-61(71(49-21-9-7-10-22-49)51-29-25-43-17-13-15-19-45(43)37-51)35-31-53-55-42-64-56(41-63(55)73(59)67(53)65)54-32-36-62(66-58-40-48(70(4,5)6)28-34-60(58)74(64)68(54)66)72(50-23-11-8-12-24-50)52-30-26-44-18-14-16-20-46(44)38-52/h7-12,21-42H,13-20H2,1-6H3
• InChIKey: ROYNXEDVCNCTTF-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.29
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine (CID 167105313) is 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine is CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccc4c(c3)CCCC4)ccc3c4cc5c(cc4n2c31)c1ccc(N(c2ccccc2)c2ccc3c(c2)CCCC3)c2c3cc(C(C)(C)C)ccc3n5c12.

What is the InChIKey of 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The InChIKey is ROYNXEDVCNCTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62N4/c1-69(2,3)47-27-33-59-57(39-47)65-61(71(49-21-9-7-10-22-49)51-29-25-43-17-13-15-19-45(43)37-51)35-31-53-55-42-64-56(41-63(55)73(59)67(53)65)54-32-36-62(66-58-40-48(70(4,5)6)28-34-60(58)74(64)68(54)66)72(50-23-11-8-12-24-50)52-30-26-44-18-14-16-20-46(44)38-52/h7-12,21-42H,13-20H2,1-6H3.

What are the key properties of 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine has a molecular weight of 959.29 g/mol, XLogP of 19.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-ditert-butyl-13-N,28-N-diphenyl-13-N,28-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 167105313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).