3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine

C90H62N4O2 — CID 155199836

About 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine

3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine (PubChem CID 155199836) has the molecular formula C90H62N4O2 and a molecular weight of 1231.51 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine.

Molecular Properties

• Compound Name: 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
• PubChem CID: 155199836
• Molecular Formula: C90H62N4O2
• Molecular Weight: 1231.51 g/mol
• Exact Mass: 1230.49
• IUPAC Name: 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
• SMILES: C1=CC(c2c3c4cccc5c6cc(N(C7=CCCC(c8ccccc8)=C7)c7cccc8c7oc7ccccc78)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(N(c9cccc(-c%10ccccc%10)c9)c9cccc%10c%11c(oc9%10)CCCC%11)ccc8n(c23)c76)c54)=CCC1
• InChI: InChI=1S/C90H62N4O2/c1-5-23-55(24-6-1)59-31-17-33-61(51-59)91(77-43-21-39-69-65-35-13-15-45-79(65)95-89(69)77)63-47-49-75-73(53-63)67-37-19-41-71-83-82(58-29-11-4-12-30-58)88-84(81(57-27-9-3-10-28-57)87(83)93(75)85(67)71)72-42-20-38-68-74-54-64(48-50-76(74)94(88)86(68)72)92(62-34-18-32-60(52-62)56-25-7-2-8-26-56)78-44-22-40-70-66-36-14-16-46-80(66)96-90(70)78/h1-3,5-11,13,15,18-30,32-35,37-45,47-54H,4,12,14,16-17,31,36,46H2
• InChIKey: ZGXRSBTUSODZMJ-UHFFFAOYSA-N
• XLogP: 24.95
• 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	1231.51
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine (CID 155199836) is 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine.

What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine is C1=CC(c2c3c4cccc5c6cc(N(C7=CCCC(c8ccccc8)=C7)c7cccc8c7oc7ccccc78)ccc6n(c3c(-c3ccccc3)c3c6cccc7c8cc(N(c9cccc(-c%10ccccc%10)c9)c9cccc%10c%11c(oc9%10)CCCC%11)ccc8n(c23)c76)c54)=CCC1.

What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

The InChIKey is ZGXRSBTUSODZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62N4O2/c1-5-23-55(24-6-1)59-31-17-33-61(51-59)91(77-43-21-39-69-65-35-13-15-45-79(65)95-89(69)77)63-47-49-75-73(53-63)67-37-19-41-71-83-82(58-29-11-4-12-30-58)88-84(81(57-27-9-3-10-28-57)87(83)93(75)85(67)71)72-42-20-38-68-74-54-64(48-50-76(74)94(88)86(68)72)92(62-34-18-32-60(52-62)56-25-7-2-8-26-56)78-44-22-40-70-66-36-14-16-46-80(66)96-90(70)78/h1-3,5-11,13,15,18-30,32-35,37-45,47-54H,4,12,14,16-17,31,36,46H2.

What are the key properties of 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine?

3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine has a molecular weight of 1231.51 g/mol, XLogP of 24.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexa-1,5-dien-1-yl-24-N-dibenzofuran-4-yl-18-phenyl-24-N-(5-phenylcyclohexa-1,5-dien-1-yl)-9-N-(3-phenylphenyl)-9-N-(6,7,8,9-tetrahydrodibenzofuran-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(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-9,24-diamine is sourced from PubChem (CID 155199836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).