9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile

C65H39N3O4 — CID 155360008

About 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile

9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile (PubChem CID 155360008) has the molecular formula C65H39N3O4 and a molecular weight of 926.04 g/mol. Its IUPAC name is 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile.

Molecular Properties

• Compound Name: 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile
• PubChem CID: 155360008
• Molecular Formula: C65H39N3O4
• Molecular Weight: 926.04 g/mol
• Exact Mass: 925.29
• IUPAC Name: 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile
• SMILES: Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(C#N)c2oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6ccccc67)ccc5cc4c2cc13)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C65H39N3O4/c1-37-13-3-7-19-54(37)67(56-21-11-17-47-45-15-5-9-23-58(45)69-64(47)56)43-27-25-39-31-49-51-35-52-50-32-40-26-28-44(30-42(40)34-61(50)72-63(52)53(36-66)62(51)71-60(49)33-41(39)29-43)68(55-20-8-4-14-38(55)2)57-22-12-18-48-46-16-6-10-24-59(46)70-65(48)57/h3-35H,1-2H3
• InChIKey: DPHXCJIMBKPGOA-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 82.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.04
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile?

The IUPAC name of 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile (CID 155360008) is 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile.

What is the SMILES notation for 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile?

The canonical SMILES for 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile is Cc1ccccc1N(c1ccc2cc3c(cc2c1)oc1c(C#N)c2oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6ccccc67)ccc5cc4c2cc13)c1cccc2c1oc1ccccc12.

What is the InChIKey of 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile?

The InChIKey is DPHXCJIMBKPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N3O4/c1-37-13-3-7-19-54(37)67(56-21-11-17-47-45-15-5-9-23-58(45)69-64(47)56)43-27-25-39-31-49-51-35-52-50-32-40-26-28-44(30-42(40)34-61(50)72-63(52)53(36-66)62(51)71-60(49)33-41(39)29-43)68(55-20-8-4-14-38(55)2)57-22-12-18-48-46-16-6-10-24-59(46)70-65(48)57/h3-35H,1-2H3.

What are the key properties of 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile?

9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile has a molecular weight of 926.04 g/mol, XLogP of 19.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9,23-bis(N-dibenzofuran-4-yl-2-methylanilino)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-16-carbonitrile is sourced from PubChem (CID 155360008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).