10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine

C76H58N4 — CID 155082719

About 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine

10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine (PubChem CID 155082719) has the molecular formula C76H58N4 and a molecular weight of 1027.33 g/mol. Its IUPAC name is 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine
• PubChem CID: 155082719
• Molecular Formula: C76H58N4
• Molecular Weight: 1027.33 g/mol
• Exact Mass: 1026.47
• IUPAC Name: 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine
• SMILES: CC(C)(C)c1cccc2c1Cc1c-2cccc1N(c1ccccc1)c1cccc2c1c1cccc3c4cc5c(cc4n2c31)c1cccc2c3c(N(c4ccccc4)c4cccc6c4Cc4c-6cccc4C(C)(C)C)cccc3n5c12
• InChI: InChI=1S/C76H58N4/c1-75(2,3)61-33-15-25-47-49-27-17-35-63(57(49)41-55(47)61)77(45-21-9-7-10-22-45)65-37-19-39-67-71(65)53-31-13-29-51-59-44-70-60(43-69(59)79(67)73(51)53)52-30-14-32-54-72-66(38-20-40-68(72)80(70)74(52)54)78(46-23-11-8-12-24-46)64-36-18-28-50-48-26-16-34-62(76(4,5)6)56(48)42-58(50)64/h7-40,43-44H,41-42H2,1-6H3
• InChIKey: XGSUJEQNCHWURU-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.33
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine?

The IUPAC name of 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine (CID 155082719) is 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine.

What is the SMILES notation for 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine?

The canonical SMILES for 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine is CC(C)(C)c1cccc2c1Cc1c-2cccc1N(c1ccccc1)c1cccc2c1c1cccc3c4cc5c(cc4n2c31)c1cccc2c3c(N(c4ccccc4)c4cccc6c4Cc4c-6cccc4C(C)(C)C)cccc3n5c12.

What is the InChIKey of 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine?

The InChIKey is XGSUJEQNCHWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H58N4/c1-75(2,3)61-33-15-25-47-49-27-17-35-63(57(49)41-55(47)61)77(45-21-9-7-10-22-45)65-37-19-39-67-71(65)53-31-13-29-51-59-44-70-60(43-69(59)79(67)73(51)53)52-30-14-32-54-72-66(38-20-40-68(72)80(70)74(52)54)78(46-23-11-8-12-24-46)64-36-18-28-50-48-26-16-34-62(76(4,5)6)56(48)42-58(50)64/h7-40,43-44H,41-42H2,1-6H3.

What are the key properties of 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine?

10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine has a molecular weight of 1027.33 g/mol, XLogP of 20.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-bis(8-tert-butyl-9H-fluoren-1-yl)-10-N,25-N-diphenyl-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-10,25-diamine is sourced from PubChem (CID 155082719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).