10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine

C90H56N4O2 — CID 167067514

About 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine

10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine (PubChem CID 167067514) has the molecular formula C90H56N4O2 and a molecular weight of 1225.46 g/mol. Its IUPAC name is 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine.

Molecular Properties

• Compound Name: 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine
• PubChem CID: 167067514
• Molecular Formula: C90H56N4O2
• Molecular Weight: 1225.46 g/mol
• Exact Mass: 1224.44
• IUPAC Name: 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine
• SMILES: C1=CC(N(c2cccc3c2oc2c(-c4ccccc4)cccc23)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5cccc7c5oc5c(-c8ccccc8)cccc57)cccc4n6c32)=CCC1
• InChI: InChI=1S/C90H56N4O2/c1-7-27-55(28-8-1)61-39-19-41-63-65-43-23-53-75(89(65)95-87(61)63)91(59-35-15-5-16-36-59)71-49-25-51-73-79(71)67-45-21-47-69-81-78(58-33-13-4-14-34-58)86-82(77(57-31-11-3-12-32-57)85(81)93(73)83(67)69)70-48-22-46-68-80-72(50-26-52-74(80)94(86)84(68)70)92(60-37-17-6-18-38-60)76-54-24-44-66-64-42-20-40-62(88(64)96-90(66)76)56-29-9-2-10-30-56/h1-5,7-17,19-54H,6,18H2
• InChIKey: IYILOCPILNXVJR-UHFFFAOYSA-N
• XLogP: 25.30
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.46
LogP ≤ 5	25.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine?

The IUPAC name of 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine (CID 167067514) is 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine.

What is the SMILES notation for 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine?

The canonical SMILES for 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine is C1=CC(N(c2cccc3c2oc2c(-c4ccccc4)cccc23)c2cccc3c2c2cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n3c24)c2cccc3c4c(N(c5ccccc5)c5cccc7c5oc5c(-c8ccccc8)cccc57)cccc4n6c32)=CCC1.

What is the InChIKey of 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine?

The InChIKey is IYILOCPILNXVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56N4O2/c1-7-27-55(28-8-1)61-39-19-41-63-65-43-23-53-75(89(65)95-87(61)63)91(59-35-15-5-16-36-59)71-49-25-51-73-79(71)67-45-21-47-69-81-78(58-33-13-4-14-34-58)86-82(77(57-31-11-3-12-32-57)85(81)93(73)83(67)69)70-48-22-46-68-80-72(50-26-52-74(80)94(86)84(68)70)92(60-37-17-6-18-38-60)76-54-24-44-66-64-42-20-40-62(88(64)96-90(66)76)56-29-9-2-10-30-56/h1-5,7-17,19-54H,6,18H2.

What are the key properties of 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine?

10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine has a molecular weight of 1225.46 g/mol, XLogP of 25.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N-cyclohexa-1,5-dien-1-yl-25-N,3,18-triphenyl-10-N,25-N-bis(6-phenyldibenzofuran-4-yl)-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-10,25-diamine is sourced from PubChem (CID 167067514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).