24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C43H26N2O — CID 129292576

IUPAC24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C43H26N2O/c1-2-12-27(13-3-1)35-26-37(44-36-19-9-6-14-30(35)36)28-22-24-29(25-23-28)45-38-20-10-7-17-33(38)40-31-15-4-5-16-32(31)41-34-18-8-11-21-39(34)46-43(41)42(40)45/h1-26H
InChIKeyLFNUIOVNVKHGRQ-UHFFFAOYSA-N
MW586.69 g/mol
LogP11.72
Rot. Bonds3

About 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 129292576) has the molecular formula C43H26N2O and a molecular weight of 586.69 g/mol. Its IUPAC name is 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID129292576
Molecular FormulaC43H26N2O
Molecular Weight586.69 g/mol
Exact Mass586.20
IUPAC Name24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C43H26N2O/c1-2-12-27(13-3-1)35-26-37(44-36-19-9-6-14-30(35)36)28-22-24-29(25-23-28)45-38-20-10-7-17-33(38)40-31-15-4-5-16-32(31)41-34-18-8-11-21-39(34)46-43(41)42(40)45/h1-26H
InChIKeyLFNUIOVNVKHGRQ-UHFFFAOYSA-N
XLogP11.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 129292576) is 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7oc6c54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is LFNUIOVNVKHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2O/c1-2-12-27(13-3-1)35-26-37(44-36-19-9-6-14-30(35)36)28-22-24-29(25-23-28)45-38-20-10-7-17-33(38)40-31-15-4-5-16-32(31)41-34-18-8-11-21-39(34)46-43(41)42(40)45/h1-26H.
What are the key properties of 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 586.69 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(4-phenylquinolin-2-yl)phenyl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 129292576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).