9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

About 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (PubChem CID 155359465) has the molecular formula C66H40N2O2 and a molecular weight of 893.06 g/mol. Its IUPAC name is 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

Molecular Properties

Compound Name	9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
PubChem CID	155359465
Molecular Formula	C66H40N2O2
Molecular Weight	893.06 g/mol
Exact Mass	892.31
IUPAC Name	9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
SMILES	c1ccc(N(c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccccc5)c5c7ccccc7cc7ccccc57)cc4ccc63)c2)c2c3ccccc3cc3ccccc23)cc1
InChI	InChI=1S/C66H40N2O2/c1-3-19-47(20-4-1)67(63-51-23-11-7-15-41(51)35-42-16-8-12-24-52(42)63)49-29-33-55-45(37-49)27-31-57-59-39-60-58-32-28-46-38-50(30-34-56(46)66(58)70-62(60)40-61(59)69-65(55)57)68(48-21-5-2-6-22-48)64-53-25-13-9-17-43(53)36-44-18-10-14-26-54(44)64/h1-40H
InChIKey	OBCMIRLKDVLMTM-UHFFFAOYSA-N
XLogP	19.34
TPSA	32.76 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	70
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.06
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (CID 155359465) is 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is c1ccc(N(c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccccc5)c5c7ccccc7cc7ccccc57)cc4ccc63)c2)c2c3ccccc3cc3ccccc23)cc1.

What is the InChIKey of 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The InChIKey is OBCMIRLKDVLMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2/c1-3-19-47(20-4-1)67(63-51-23-11-7-15-41(51)35-42-16-8-12-24-52(42)63)49-29-33-55-45(37-49)27-31-57-59-39-60-58-32-28-46-38-50(30-34-56(46)66(58)70-62(60)40-61(59)69-65(55)57)68(48-21-5-2-6-22-48)64-53-25-13-9-17-43(53)36-44-18-10-14-26-54(44)64/h1-40H.

What are the key properties of 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine has a molecular weight of 893.06 g/mol, XLogP of 19.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-di(anthracen-9-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155359465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).