24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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

C50H27N3OS — CID 122605165

IUPAC24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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
SMILESc1ccc2c(c1)ccc1c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)nc5ccc6ccccc6c45)cc3oc21
InChIInChI=1S/C50H27N3OS/c1-3-13-31-28(11-1)23-26-39-45(31)46(30-22-24-33-36-25-21-29-12-2-4-14-32(29)48(36)54-41(33)27-30)52-50(51-39)53-40-19-9-7-17-37(40)43-34-15-5-6-16-35(34)44-38-18-8-10-20-42(38)55-49(44)47(43)53/h1-27H
InChIKeyXXDZIOQUPKKCDN-UHFFFAOYSA-N
MW717.85 g/mol
LogP14.12
Rot. Bonds2

About 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 122605165) has the molecular formula C50H27N3OS and a molecular weight of 717.85 g/mol. Its IUPAC name is 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 CID122605165
Molecular FormulaC50H27N3OS
Molecular Weight717.85 g/mol
Exact Mass717.19
IUPAC Name24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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
SMILESc1ccc2c(c1)ccc1c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)nc5ccc6ccccc6c45)cc3oc21
InChIInChI=1S/C50H27N3OS/c1-3-13-31-28(11-1)23-26-39-45(31)46(30-22-24-33-36-25-21-29-12-2-4-14-32(29)48(36)54-41(33)27-30)52-50(51-39)53-40-19-9-7-17-37(40)43-34-15-5-6-16-35(34)44-38-18-8-10-20-42(38)55-49(44)47(43)53/h1-27H
InChIKeyXXDZIOQUPKKCDN-UHFFFAOYSA-N
XLogP14.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.85
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 122605165) is 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 c1ccc2c(c1)ccc1c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7c7c8ccccc8sc7c65)nc5ccc6ccccc6c45)cc3oc21.
What is the InChIKey of 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 XXDZIOQUPKKCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H27N3OS/c1-3-13-31-28(11-1)23-26-39-45(31)46(30-22-24-33-36-25-21-29-12-2-4-14-32(29)48(36)54-41(33)27-30)52-50(51-39)53-40-19-9-7-17-37(40)43-34-15-5-6-16-35(34)44-38-18-8-10-20-42(38)55-49(44)47(43)53/h1-27H.
What are the key properties of 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 717.85 g/mol, XLogP of 14.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(1-naphtho[1,2-b][1]benzofuran-9-ylbenzo[f]quinazolin-3-yl)-3-thia-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 122605165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).