8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C72H50N4 — CID 138745094

About 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 138745094) has the molecular formula C72H50N4 and a molecular weight of 971.22 g/mol. Its IUPAC name is 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 138745094
• Molecular Formula: C72H50N4
• Molecular Weight: 971.22 g/mol
• Exact Mass: 970.40
• IUPAC Name: 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc5n8c43)ccc21
• InChI: InChI=1S/C72H50N4/c1-71(2)61-27-13-11-21-49(61)57-37-45(31-35-63(57)71)73(43-17-7-5-8-18-43)47-29-33-51-53-23-15-25-55-59-42-68-60(41-67(59)75(69(53)55)65(51)39-47)56-26-16-24-54-52-34-30-48(40-66(52)76(68)70(54)56)74(44-19-9-6-10-20-44)46-32-36-64-58(38-46)50-22-12-14-28-62(50)72(64,3)4/h5-42H,1-4H3
• InChIKey: BXLUGRNWXQYVLA-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.22
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 138745094) is 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6ccc7c(c6)-c6ccccc6C7(C)C)cc5n8c43)ccc21.

What is the InChIKey of 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is BXLUGRNWXQYVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N4/c1-71(2)61-27-13-11-21-49(61)57-37-45(31-35-63(57)71)73(43-17-7-5-8-18-43)47-29-33-51-53-23-15-25-55-59-42-68-60(41-67(59)75(69(53)55)65(51)39-47)56-26-16-24-54-52-34-30-48(40-66(52)76(68)70(54)56)74(44-19-9-6-10-20-44)46-32-36-64-58(38-46)50-22-12-14-28-62(50)72(64,3)4/h5-42H,1-4H3.

What are the key properties of 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 971.22 g/mol, XLogP of 19.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 138745094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).