2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

About 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (PubChem CID 165381503) has the molecular formula C44H28B2N4O and a molecular weight of 650.36 g/mol. Its IUPAC name is 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

Molecular Properties

Compound Name	2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
PubChem CID	165381503
Molecular Formula	C44H28B2N4O
Molecular Weight	650.36 g/mol
Exact Mass	650.24
IUPAC Name	2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
SMILES	c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccncc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1
InChI	InChI=1S/C44H28B2N4O/c1-2-14-30(15-3-1)45-32-16-4-5-17-33(32)46-34-18-6-7-19-36(34)49(31-23-26-47-27-24-31)43-41(46)35(45)28-39-44(43)51-40-22-9-8-20-37(40)50(39)38-21-10-12-29-13-11-25-48-42(29)38/h1-28H
InChIKey	HNWBTUHMLKAANM-UHFFFAOYSA-N
XLogP	6.33
TPSA	41.49 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.36
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The IUPAC name of 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (CID 165381503) is 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

What is the SMILES notation for 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The canonical SMILES for 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccncc4)c4c5c(cc2c43)N(c2cccc3cccnc23)c2ccccc2O5)cc1.

What is the InChIKey of 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The InChIKey is HNWBTUHMLKAANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28B2N4O/c1-2-14-30(15-3-1)45-32-16-4-5-17-33(32)46-34-18-6-7-19-36(34)49(31-23-26-47-27-24-31)43-41(46)35(45)28-39-44(43)51-40-22-9-8-20-37(40)50(39)38-21-10-12-29-13-11-25-48-42(29)38/h1-28H.

What are the key properties of 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene has a molecular weight of 650.36 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-16-pyridin-4-yl-26-quinolin-8-yl-19-oxa-16,26-diaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is sourced from PubChem (CID 165381503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).